Geometry & MOs

Info

ID:	272134
PubChem CID:	103726504
Reduced:	NSO5C10H21 (1)
Stoich.:	ABC5D10E21 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-243.59
Dipole, Da:	4.23
IP(EA), eV:	-9.94(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanocyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNC(=O)CCS(=O)(=O)C)O

DOS

IR

Vibrations