Geometry & MOs

Info

ID:	272128
PubChem CID:	103725941
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	1.6
Dipole, Da:	4.1
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)NC(C)C2=NC=NN2

DOS

IR

Vibrations