Geometry & MOs

Info

ID:	392229
PubChem CID:	135013805
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	353.154642
ΔH_f, kcal/mol:	15.3
Dipole, Da:	4.26
IP(EA), eV:	-8.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aS)-9-benzyl-4a-(3-chloropropyl)-1,2,3,9a-tetrahydrocarbazol-4-one

Drug info:

PubChemData

Smile

C1CC2C3(CCCN(C1)C3=O)C4=CC=CC=C4N2CC5=CC=CC=C5

DOS

IR

Vibrations