Geometry & MOs

Info

ID:	251549
PubChem CID:	103104819
Reduced:	N3O3C10H17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	2.82
IP(EA), eV:	-10.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-heptyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CN1C(=C(N=N1)C(=O)OCC)C)O

DOS

IR

Vibrations