Geometry & MOs

Info

ID:	276747
PubChem CID:	103824925
Reduced:	BrNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	1.4
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br)O

DOS

IR

Vibrations