Geometry & MOs

Info

ID:	252096
PubChem CID:	103109101
Reduced:	O2N3C11H23 (1)
Stoich.:	A2B3C11D23 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	4.0
IP(EA), eV:	-9.05(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-(chloromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)CNC(C)C

DOS

IR

Vibrations