Geometry & MOs

Info

ID:	247194
PubChem CID:	103068606
Reduced:	BrSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	298.01393
ΔH_f, kcal/mol:	70.38
Dipole, Da:	1.56
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-bromopyridin-2-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CSC2=C(C=CC=N2)Br

DOS

IR

Vibrations