Geometry & MOs

Info

ID:	272147
PubChem CID:	103727875
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	4.56
IP(EA), eV:	-9.13(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octan-4-yl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NC1=CC=CC=C1

DOS

IR

Vibrations