Geometry & MOs

Info

ID:	70869
PubChem CID:	48413979
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	33.27
Dipole, Da:	2.24
IP(EA), eV:	-9.49(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations