Geometry & MOs

Info

ID:	69652
PubChem CID:	47205088
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	253.041818
ΔH_f, kcal/mol:	3.97
Dipole, Da:	6.59
IP(EA), eV:	-9.29(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations