Geometry & MOs

Info

ID:	251841
PubChem CID:	103107292
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	3.8
IP(EA), eV:	-8.82(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations