Geometry & MOs

Info

ID:	204324
PubChem CID:	79947460
Reduced:	BrOSN2C13H21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	266.996617
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	3.36
IP(EA), eV:	-8.66(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(6-chloropyridin-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CC2(CC(CSC2)(C)C)O)C

DOS

IR

Vibrations