Geometry & MOs

Info

ID:	438776
PubChem CID:	135228532
Reduced:	ON2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	414.230728
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	9.79
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)N(C)C)C(C)(C)C

DOS

IR

Vibrations