Geometry & MOs

Info

ID:	216431
PubChem CID:	85086228
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	6.49
IP(EA), eV:	-10.04(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyano-6-oxo-5H-pyrimidin-4-yl)-N-ethylbenzamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C=C1C(=O)OCC2=CC=CC=C2)C#N

DOS

IR

Vibrations