Geometry & MOs

Info

ID:

220069

PubChem CID:

85165206

Reduced:

ON5C30H41 (1)

Stoich.:

AB5C30D41 (1)

Weight, g/mol:

644.40769

ΔHf, kcal/mol:

-0.49

Dipole, Da:

3.72

IP(EA), eV:

 -8.59(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dimethoxybenzoyl)-4-methoxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

CC(=C1C(CC(=N1)C=C2C(CC(=CC3=NC(=O)CC3(C)C)N2)(C)C)(C)C)C4=NC(C(C4)(C)C)(C)C#N

DOS

IR

Vibrations