Geometry & MOs

Info

ID:	207465
PubChem CID:	80399883
Reduced:	NOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	265.251798
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	2.54
IP(EA), eV:	-8.54(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-2-(4-cyclopropylpiperazin-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CNCC2CCCS2

DOS

IR

Vibrations