Geometry & MOs

Info

ID:	439134
PubChem CID:	135228899
Reduced:	NOC7H8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	484.283826
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	12.15
IP(EA), eV:	-8.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-methoxy-2-methylidene-9-(6-piperazin-1-ylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)N5CCNCC5

DOS

IR

Vibrations