Geometry & MOs

Info

ID:	171753
PubChem CID:	75423295
Reduced:	NSF3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-284.34
Dipole, Da:	4.23
IP(EA), eV:	-9.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-5-yn-3-yl-2-(1,2,4-triazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N(CC(F)(F)F)C(=O)CCS(=O)(=O)C)C

DOS

IR

Vibrations