Geometry & MOs

Info

ID:	71022
PubChem CID:	48414189
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	10.86
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCOC2=C(C=C(C=C2)C#N)OC

DOS

IR

Vibrations