Geometry & MOs

Info

ID:	438951
PubChem CID:	135228712
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	11.94
IP(EA), eV:	-8.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=C)O)C(C)(C)C)/C(=C/C)/C=N

DOS

IR

Vibrations