Geometry & MOs

Info

ID:	83787
PubChem CID:	49861357
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	262.144806
ΔH_f, kcal/mol:	10.83
Dipole, Da:	1.89
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminopropyl)-2,5-dimethoxycyclohexane-1-carbonitrile;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C3CCNCC3)O.Cl

DOS

IR

Vibrations