Geometry & MOs

Info

ID:

310208

PubChem CID:

126576777

Reduced:

O3N4H66C70 (1)

Stoich.:

A3B4C66D70 (1)

Weight, g/mol:

382.240899

ΔHf, kcal/mol:

464.74

Dipole, Da:

2.64

IP(EA), eV:

 -7.53(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,3S)-3-methylcyclopentyl]-5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazole

Drug info:

PubChemData

Smile

CCN(CC)CCCOC1=C(C(=C(C=C1)C2C34C5=C6C=CC7=C8C=CC9=C1C=CC%10=C%11C=CC%12=C(C3(CN2C)C2=C3C%13=C(C%10=C1C1=C%13C%10=C(C8=C91)C7=C6C4=C%103)C%11=C%122)C=C5)OCCCN(CC)CC)OCCCN(CC)CC

DOS

IR

Vibrations