Geometry & MOs

Info

ID:	202477
PubChem CID:	79679336
Reduced:	ClNSC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	299.03433
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	1.77
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-bromophenyl)sulfanyl-2-methylcyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC1CCCC1(CN)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations