Geometry & MOs

Info

ID:	176111
PubChem CID:	75998189
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	6.76
Dipole, Da:	6.86
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4aH-quinazolin-3-yl)hexanoic acid

Drug info:

PubChemData

Smile

CC(=O)N=C1C(=C[O-])[N+](=NO1)CC2=CC=CC=C2

DOS

IR

Vibrations