Geometry & MOs

Info

ID:	443871
PubChem CID:	135260237
Reduced:	FO4N5H22C26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	496.147073
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	5.37
IP(EA), eV:	-9.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,4-difluoro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-5-fluoroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=C(C=CC(=C3)CN4C5=CC=CC=C5C(=O)NC4=O)F

DOS

IR

Vibrations