Geometry & MOs

Info

ID:	244323
PubChem CID:	99343977
Reduced:	BrON5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	360.133474
ΔH_f, kcal/mol:	89.8
Dipole, Da:	2.13
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxocinnolin-1-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=CN(N=C3)CC4=CC=NC=C4

DOS

IR

Vibrations