Geometry & MOs

Info

ID:	88796
PubChem CID:	49956863
Reduced:	ClNO2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	2.92
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations