Geometry & MOs

Info

ID:	251847
PubChem CID:	103107332
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-104.64
Dipole, Da:	3.97
IP(EA), eV:	-8.87(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(1-methoxypropan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1CCN(CC1)C(=O)N(C)C

DOS

IR

Vibrations