Geometry & MOs

Info

ID:	438749
PubChem CID:	135228502
Reduced:	NOC30H39 (1)
Stoich.:	ABC30D39 (1)
Weight, g/mol:	403.262363
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	6.42
IP(EA), eV:	-7.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(6-tert-butyl-10-methoxy-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-4-iminobut-2-en-2-amine

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)CC)/C(=C(\C)/C=C)/C)C(C)(C)C

DOS

IR

Vibrations