Geometry & MOs

Info

ID:	17606
PubChem CID:	507117
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	5.05
Dipole, Da:	10.97
IP(EA), eV:	-9.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylphenyl)-2-morpholin-4-yl-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCOCC3)C#N

DOS

IR

Vibrations