Geometry & MOs

Info

ID:	278804
PubChem CID:	103838394
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	290.18167
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	3.12
IP(EA), eV:	-8.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1CNCC(C3=CSC=C3)O

DOS

IR

Vibrations