Geometry & MOs

Info

ID:	439071
PubChem CID:	135228834
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	44.19
Dipole, Da:	0.42
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-oxo-9-phenyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CC=C

DOS

IR

Vibrations