Geometry & MOs

Info

ID:	205169
PubChem CID:	80063089
Reduced:	BrNO2S2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	5.6
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-2-ylsulfanyl)-N,3,5-trimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)C(C2=CC(=CS2)Br)N

DOS

IR

Vibrations