Geometry & MOs

Info

ID:	345890
PubChem CID:	127270190
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	3.86
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)N3CC4=CC=CC=C4C5=CC=CC=C5C3

DOS

IR

Vibrations