Geometry & MOs

Info

ID:	251921
PubChem CID:	103107881
Reduced:	ON3C14H29 (1)
Stoich.:	AB3C14D29 (1)
Weight, g/mol:	328.012996
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	4.97
IP(EA), eV:	-8.31(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(2,3-dichloroanilino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations