Geometry & MOs

Info

ID:	251612
PubChem CID:	103105308
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	4.78
IP(EA), eV:	-10.17(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5-di(propan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations