Geometry & MOs

Info

ID:	125472
PubChem CID:	50925561
Reduced:	NO5H21C27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	474.19032
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	4.85
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethyl)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C3=CNC4=CC=CC=C43)C5=C(C(=O)C=C(O5)CO)O

DOS

IR

Vibrations