Geometry & MOs

Info

ID:	251783
PubChem CID:	103106892
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	1.86
IP(EA), eV:	-10.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(2-hydroxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC(C)C)C2CC2

DOS

IR

Vibrations