Geometry & MOs

Info

ID:	438902
PubChem CID:	135228663
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	531.236936
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	6.42
IP(EA), eV:	-7.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[6-(3-carboxypyrrolidin-1-yl)-5-methylpyridin-3-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=C(C=C3C(=C2)CC(N4C3=CC(=C)C(=C4)C(=O)C)C(C)(C)C)O)C

DOS

IR

Vibrations