Geometry & MOs

Info

ID:	439028
PubChem CID:	135228791
Reduced:	ON3C30H41 (1)
Stoich.:	AB3C30D41 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	9.06
Dipole, Da:	6.26
IP(EA), eV:	-7.8(-0.62)
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]-10-ethyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations