Geometry & MOs

Info

ID:	324217
PubChem CID:	126677164
Reduced:	OCl2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	2.7
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-nitrosophenyl)propyl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)(C)C)OCC2=NN=C(C=C2)Cl

DOS

IR

Vibrations