Geometry & MOs

Info

ID:	438938
PubChem CID:	135228699
Reduced:	O2N4C29H36 (1)
Stoich.:	A2B4C29D36 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	18.46
Dipole, Da:	7.3
IP(EA), eV:	-7.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=C)C(=CN13)C(=C)O)OC)C4=CN(C(N=C4)NC5CC5)C

DOS

IR

Vibrations