Geometry & MOs

Info

ID:	142771
PubChem CID:	53089960
Reduced:	FO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	386.114568
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	8.95
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations