Geometry & MOs

Info

ID:	216620
PubChem CID:	85086510
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	29.2
Dipole, Da:	4.32
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-(1-azabicyclo[2.2.2]octan-3-yl)-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C2C3=C(CCN2OC1)C4=CC=CC=C4N3)C(=O)O

DOS

IR

Vibrations