Geometry & MOs

Info

ID:	443869
PubChem CID:	135260234
Reduced:	ClFO3N6H20C24 (1)
Stoich.:	ABC3D6E20F24 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	5.78
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=C(C(=C3)CN4C5=CC=CC=C5C(=O)NC4=O)Cl)F

DOS

IR

Vibrations