Geometry & MOs

Info

ID:	246951
PubChem CID:	103065771
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	182.035924
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	5.88
IP(EA), eV:	-10.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC(=O)N(C(=O)C1)CC(=C)CCl)C

DOS

IR

Vibrations