Geometry & MOs

Info

ID:	267532
PubChem CID:	103582631
Reduced:	BrClOSN2C10H12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	275.9665
ΔH_f, kcal/mol:	-9.61
Dipole, Da:	3.57
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-bromo-3-chloropyridin-2-yl)amino]cyclopropyl]methanol

Drug info:

PubChemData

Smile

C1CS(=O)CCC1NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations