Geometry & MOs

Info

ID:	88799
PubChem CID:	49956874
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	3.29
IP(EA), eV:	-9.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)NCCCOC)OC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations