Geometry & MOs

Info

ID:	438962
PubChem CID:	135228723
Reduced:	NC22H39 (1)
Stoich.:	AB22C39 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	1.54
IP(EA), eV:	-8.33(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CCC=C)C(C)CC(C)/C=C(/C=C\CC)\C(=C\N)\C

DOS

IR

Vibrations