Geometry & MOs

Info

ID:	216633
PubChem CID:	85086528
Reduced:	NO5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	4.83
IP(EA), eV:	-8.62(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-6-(3,4,5-trimethoxyphenyl)-5H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC=C(C2=O)O)C3=CC(=O)C(=O)C=C3N1

DOS

IR

Vibrations