Geometry & MOs

Info

ID:	294020
PubChem CID:	117422401
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	267.111542
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	4.13
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-bis(methylsulfanyl)phenyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)OC2CCSCC2)OC)N

DOS

IR

Vibrations