Geometry & MOs

Info

ID:	67292
PubChem CID:	46506226
Reduced:	ClN4O5C23H25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-170.71
Dipole, Da:	7.2
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

DOS

IR

Vibrations