Geometry & MOs

Info

ID:	141071
PubChem CID:	52813053
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	5.31
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexanecarbonylamino)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CN(CC#N)CN1C(=O)C(NC1=O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations