Geometry & MOs

Info

ID:	282896
PubChem CID:	103944573
Reduced:	INCl2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	2.9
IP(EA), eV:	-9.78(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-hydroxy-1-phenylethyl]-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=C(C(=CC(=C2)Cl)Cl)I

DOS

IR

Vibrations