Geometry & MOs

Info

ID:	46415
PubChem CID:	10524306
Reduced:	BrO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	3.1
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CNNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C

DOS

IR

Vibrations