Geometry & MOs

Info

ID:	372633
PubChem CID:	131301201
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	246.94941
ΔH_f, kcal/mol:	76.93
Dipole, Da:	5.01
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-methylpyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC2=C(C=C(S2)C#N)N

DOS

IR

Vibrations