Geometry & MOs

Info

ID:	28304
PubChem CID:	826938
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	3.87
IP(EA), eV:	-9.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations