Geometry & MOs

Info

ID:	276836
PubChem CID:	103825428
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-214.74
Dipole, Da:	6.46
IP(EA), eV:	-9.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethyl)pentyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CCC(=O)NCC(C)(C)CCO)C

DOS

IR

Vibrations