Geometry & MOs

Info

ID:	69707
PubChem CID:	47205219
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	267.081933
ΔH_f, kcal/mol:	9.95
Dipole, Da:	10.52
IP(EA), eV:	-9.44(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=NN2)[N+](=O)[O-]

DOS

IR

Vibrations