Geometry & MOs

Info

ID:	353690
PubChem CID:	127285267
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-143.33
Dipole, Da:	2.85
IP(EA), eV:	-9.48(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methyl-3-oxopiperazin-1-yl)ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NC2CCOCC2

DOS

IR

Vibrations