Geometry & MOs

Info

ID:	23244
PubChem CID:	602914
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	2.42
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-6,6-dimethyl-3,5-dihydrofuro[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(C(C2=C(O1)N=CNC2=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations