Geometry & MOs

Info

ID:	251637
PubChem CID:	103105547
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	3.49
IP(EA), eV:	-10.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-hydroxypropyl)-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCCN1C(=C(N=N1)C(=O)OC)C2=CC=NC=C2

DOS

IR

Vibrations