Geometry & MOs

Info

ID:	439082
PubChem CID:	135228845
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	12.17
IP(EA), eV:	-8.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-methyl-9-(2-methylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)NC

DOS

IR

Vibrations