Geometry & MOs

Info

ID:	83796
PubChem CID:	49861445
Reduced:	ClFNS3O6C31H55 (1)
Stoich.:	ABCD3E6F31G55 (1)
Weight, g/mol:	361.274757
ΔH_f, kcal/mol:	-389.74
Dipole, Da:	4.47
IP(EA), eV:	-8.96(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-cyclohexylpropyl)-2,5-dimethoxycyclohexyl]propan-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C1CC2CCCNC2C(C1)C3CCCC(C3)CC(C4CCC(CC4)S(=O)(=O)C)(F)S(=O)(=O)C5CC5)S(=O)(=O)C.Cl

DOS

IR

Vibrations