Geometry & MOs

Info

ID:	250127
PubChem CID:	103094330
Reduced:	ClON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	253.09819
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	3.05
IP(EA), eV:	-9.2(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyridin-2-yl)azepane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CCC(=O)NC1=C(C=CC=N1)Cl)CCN

DOS

IR

Vibrations