Geometry & MOs

Info

ID:	401103
PubChem CID:	135050126
Reduced:	OS3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	239.92601
ΔH_f, kcal/mol:	17.47
Dipole, Da:	3.27
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-5-(trichloromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(=C(SC)SC)SC2=CC=C(C=C2)C

DOS

IR

Vibrations