Geometry & MOs

Info

ID:

438929

PubChem CID:

135228690

Reduced:

N2O3C29H42 (1)

Stoich.:

A2B3C29D42 (1)

Weight, g/mol:

461.304228

ΔHf, kcal/mol:

-102.47

Dipole, Da:

5.74

IP(EA), eV:

 -8.15(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-tert-butyl-10-methoxy-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCCCN=C/C(=C\N)/C1=C(C=C(C(=C1)CC(C)C(C)C)/C(=C/C(=O)/C(=C\C)/C(=O)C)/C)OC

DOS

IR

Vibrations