Geometry & MOs

Info

ID:	438726
PubChem CID:	135228479
Reduced:	ClN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	4.32
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[4-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-10-methoxy-2-oxo-6,7,11,11a-tetrahydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC(=N2)Cl)C(=O)C1C3=NC=C(C=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations