Geometry & MOs

Info

ID:	28762
PubChem CID:	829416
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	126.19
Dipole, Da:	10.55
IP(EA), eV:	-9.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-(4-hydroxyphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations