Geometry & MOs

Info

ID:	69711
PubChem CID:	47205223
Reduced:	OSF2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	4.05
IP(EA), eV:	-9.8(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC2=CC=NN2)SC(F)F

DOS

IR

Vibrations