Geometry & MOs

Info

ID:	69612
PubChem CID:	47205027
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	237.071368
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	4.54
IP(EA), eV:	-9.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)NCC2=CC=NN2)OC

DOS

IR

Vibrations