Geometry & MOs

Info

ID:	203578
PubChem CID:	79847353
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	291.202071
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	2.41
IP(EA), eV:	-9.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,2-dimethyl-6-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCCC2(C)C)N)C

DOS

IR

Vibrations