Geometry & MOs

Info

ID:	177329
PubChem CID:	76167786
Reduced:	NOC42H75 (1)
Stoich.:	ABC42D75 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	2.33
IP(EA), eV:	-8.6(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1,3,3a,5,6,10b-hexahydropyrrolo[3,4-d][2]benzazepin-4-one

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCCCCCCCCC(CCCCCCCC=CCC=CCC=CCC)OCCCCN(C)C

DOS

IR

Vibrations