Geometry & MOs

Info

ID:	438852
PubChem CID:	135228610
Reduced:	O3N5C33H45 (1)
Stoich.:	A3B5C33D45 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-83.64
Dipole, Da:	10.13
IP(EA), eV:	-8.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)N(CCC)CCNCC)C(C)(C)C

DOS

IR

Vibrations