Geometry & MOs

Info

ID:	295032
PubChem CID:	117512276
Reduced:	BrNS2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	331.0064
ΔH_f, kcal/mol:	20.66
Dipole, Da:	2.41
IP(EA), eV:	-8.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

CSC1=C(C(=CC(=C1)C2CCCNC2)Br)SC

DOS

IR

Vibrations