Geometry & MOs

Info

ID:	438877
PubChem CID:	135228637
Reduced:	N3C32H41 (1)
Stoich.:	A3B32C41 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	69.31
Dipole, Da:	4.38
IP(EA), eV:	-7.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/C(=C)C)\C(=C)/C=C\1/C2=C(CC(N1)C(C)(C)C)C=C(C(=C2)C)C3=CN=C(C=C3)NCC4CC4

DOS

IR

Vibrations