Geometry & MOs

Info

ID:	252799
PubChem CID:	103114235
Reduced:	SO2N5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	0.91
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(N=C(S1)NC2CC2)N

DOS

IR

Vibrations