Geometry & MOs

Info

ID:	67290
PubChem CID:	46506223
Reduced:	N4O5C23H26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	456.180898
ΔH_f, kcal/mol:	-157.48
Dipole, Da:	7.53
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(4-fluorophenyl)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=CC=C4)OC

DOS

IR

Vibrations