Geometry & MOs

Info

ID:	270186
PubChem CID:	103632855
Reduced:	OCl2N2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	363.88395
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	5.63
IP(EA), eV:	-9.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations