Geometry & MOs

Info

ID:

315685

PubChem CID:

126628545

Reduced:

NOH47C71 (1)

Stoich.:

ABC47D71 (1)

Weight, g/mol:

254.188195

ΔHf, kcal/mol:

264.33

Dipole, Da:

0.99

IP(EA), eV:

 -7.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-(1-methoxyethenyl)-4-methylcyclohexyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4=C(C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC(=CC=C8)C9=CC=CC1=C9OC2=C1C=CC=C2C1=CC=CC=C1)C1=C3C=CC2=CC=CC=C21

DOS

IR

Vibrations