Geometry & MOs

Info

ID:	443864
PubChem CID:	135260225
Reduced:	F2O3N6H20C24 (1)
Stoich.:	A2B3C6D20E24 (1)
Weight, g/mol:	477.161246
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	6.63
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,4-difluoro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations