Geometry & MOs

Info

ID:	251636
PubChem CID:	103105541
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	3.34
IP(EA), eV:	-10.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-propan-2-yloxyethyl)-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)CCN1C(=C(N=N1)C(=O)OC)C2=CC=NC=C2

DOS

IR

Vibrations