Geometry & MOs

Info

ID:	26844
PubChem CID:	799554
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	2.61
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC=CC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations