Geometry & MOs

Info

ID:	145992
PubChem CID:	53621580
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	3.18
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)phenyl]-3-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCNC1=NN=C2CCN(CC2=C1)C(=O)C3=COC=C3

DOS

IR

Vibrations