Geometry & MOs

Info

ID:	147098
PubChem CID:	53786751
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	225.103275
ΔH_f, kcal/mol:	-133.99
Dipole, Da:	6.04
IP(EA), eV:	-10.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)azepan-1-amine

Drug info:

PubChemData

Smile

C=CCOC(=O)C12CC(C1)C[C@H]2C(=O)O

DOS

IR

Vibrations