Geometry & MOs

Info

ID:	209225
PubChem CID:	80640296
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	51.21
Dipole, Da:	2.41
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCNCC1=CN=C(C(=C1)C)SC2=NC=CN2C

DOS

IR

Vibrations