Geometry & MOs

Info

ID:

441262

PubChem CID:

135233852

Reduced:

ON3H31C43 (1)

Stoich.:

AB3C31D43 (1)

Weight, g/mol:

479.28964

ΔHf, kcal/mol:

183.45

Dipole, Da:

1.29

IP(EA), eV:

 -8.74(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]pyridin-2-yl]-6,6-dimethylcyclohex-3-en-1-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2CC=C(C=C2)C3=NC(=NC(=N3)C4=CC5=C(C=C4)OC6=CC=CC(=C65)C7=CC=CC8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations