Geometry & MOs

Info

ID:	439077
PubChem CID:	135228840
Reduced:	FNC22H32 (1)
Stoich.:	ABC22D32 (1)
Weight, g/mol:	431.209658
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	1.92
IP(EA), eV:	-9.14(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(4-ethylphenyl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=C(C(=CC=C1)F)C(C)CCC2CCC(CC2)C

DOS

IR

Vibrations