Geometry & MOs

Info

ID:	383517
PubChem CID:	134975278
Reduced:	O2H9C12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	374.1278
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	5.43
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)C3=C(C=CC4=C3C=CC(=C4)C(=O)C)O

DOS

IR

Vibrations