Geometry & MOs

Info

ID:	121539
PubChem CID:	50772703
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	367.132077
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	7.79
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoylphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations