Geometry & MOs

Info

ID:	443870
PubChem CID:	135260235
Reduced:	FO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	487.165582
ΔH_f, kcal/mol:	-98.4
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-fluoro-3-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5C(=O)NC4=O

DOS

IR

Vibrations