Geometry & MOs

Info

ID:	335645
PubChem CID:	127254507
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	3.31
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-5-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCC(=O)NC2=CC3=C(C=C2)N=C(N3)CO

DOS

IR

Vibrations