Geometry & MOs

Info

ID:	181778
PubChem CID:	76791693
Reduced:	ClOSN3C21H32 (1)
Stoich.:	ABCD3E21F32 (1)
Weight, g/mol:	355.275426
ΔH_f, kcal/mol:	-63.5
Dipole, Da:	3.39
IP(EA), eV:	-8.99(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[4-(4-chlorocyclohex-3-en-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)C2=CC=C(C=C2)Cl)NC3NCCS3

DOS

IR

Vibrations