Geometry & MOs

Info

ID:	379395
PubChem CID:	134419294
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	334.116486
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	2.16
IP(EA), eV:	-8.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dioxopyrimidin-1-yl)-2-(1-hydroxypropan-2-yloxy)ethyl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)C)C(C)C2=CC=CC=C2O

DOS

IR

Vibrations