Geometry & MOs

Info

ID:	438927
PubChem CID:	135228688
Reduced:	ON2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	7.11
Dipole, Da:	3.44
IP(EA), eV:	-7.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-oxo-9-(1H-pyrazol-4-yl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)OC)/C(=C/N)/C)C(C)(C)C

DOS

IR

Vibrations