Geometry & MOs

Info

ID:	28035
PubChem CID:	825221
Reduced:	ClO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	333.086189
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	7.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964012
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-phenyl-3-(2H-tetrazole-5-carbonyl)quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)C[N+]1=C2C=CC(=NN2C(=O)C(=C1O)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations