Geometry & MOs

Info

ID:	252117
PubChem CID:	103109257
Reduced:	O2N3C12H25 (1)
Stoich.:	A2B3C12D25 (1)
Weight, g/mol:	245.093105
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	1.17
IP(EA), eV:	-9.4(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC(C)C(=O)N(C)CC)N

DOS

IR

Vibrations