Geometry & MOs

Info

ID:	89847
PubChem CID:	49965030
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-95.4
Dipole, Da:	4.54
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2,8,8-trimethyl-3,5,7,9-tetrahydrochromeno[2,3-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4Cl)C(=O)N1

DOS

IR

Vibrations