Geometry & MOs

Info

ID:	243225
PubChem CID:	99217244
Reduced:	BrN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	6.41
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CNC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations