Geometry & MOs

Info

ID:	443863
PubChem CID:	135260224
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	478.156495
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	4.94
IP(EA), eV:	-9.55(-1.04)
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]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COCNC(=O)C1=CC=CC(=C1)CN2C3=CC=CC=C3C(=O)NC2=O

DOS

IR

Vibrations