Geometry & MOs

Info

ID:	247193
PubChem CID:	103068580
Reduced:	NO2S2C10H19 (1)
Stoich.:	AB2C2D10E19 (1)
Weight, g/mol:	298.01393
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	5.14
IP(EA), eV:	-8.78(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-bromopyridin-2-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)CCSCC(=C)CNC1CC1

DOS

IR

Vibrations