Geometry & MOs

Info

ID:	341185
PubChem CID:	127263620
Reduced:	ClNO2C5H10 (1)
Stoich.:	ABC2D5E10 (1)
Weight, g/mol:	160.076726
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	2.15
IP(EA), eV:	-10.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepane-3-carbonitrile;hydrochloride

Drug info:

PubChemData

Smile

C1C(COCC1=O)N.Cl

DOS

IR

Vibrations