Geometry & MOs

Info

ID:	176591
PubChem CID:	76069605
Reduced:	NO7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	485.288971
ΔH_f, kcal/mol:	-286.74
Dipole, Da:	3.12
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[4-(9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-3-yl)butyl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C(C(C(CO)O)O)O)N

DOS

IR

Vibrations