Geometry & MOs

Info

ID:	237098
PubChem CID:	92717281
Reduced:	ClNO5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-143.47
Dipole, Da:	3.41
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[(1R)-1-phenylethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations