Geometry & MOs

Info

ID:	67291
PubChem CID:	46506225
Reduced:	FN4O5C23H25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	472.151348
ΔH_f, kcal/mol:	-202.37
Dipole, Da:	8.01
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-6,7-dimethoxy-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=C(C=C4)F)OC

DOS

IR

Vibrations