Geometry & MOs

Info

ID:	237096
PubChem CID:	92717259
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	3.49
IP(EA), eV:	-8.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C(=CN2)NC(=O)NCC[C@@H](C)C3=CC=CO3

DOS

IR

Vibrations