Geometry & MOs

Info

ID:	374579
PubChem CID:	131331712
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	259.97159
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	1.9
IP(EA), eV:	-8.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(6-bromo-4-chloropyridin-3-yl)-cyclopropylmethanamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=CSC(=C2N1)C(=O)OC

DOS

IR

Vibrations