Geometry & MOs

Info

ID:	38262
PubChem CID:	8028538
Reduced:	ClNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-169.21
Dipole, Da:	5.59
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC[C@H](C3=CC=CC=C3)O)C

DOS

IR

Vibrations