Geometry & MOs

Info

ID:	266968
PubChem CID:	103580254
Reduced:	BrClON2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	293.95931
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	2.73
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=C(C=N1)Br)Cl)O

DOS

IR

Vibrations