Geometry & MOs

Info

ID:	267389
PubChem CID:	103582083
Reduced:	FOCl2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	304.054547
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	7.18
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichloro-4-fluorophenyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations