Geometry & MOs

Info

ID:	69710
PubChem CID:	47205222
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	283.059089
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	5.23
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfanyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC2=CC=NN2

DOS

IR

Vibrations