Geometry & MOs

Info

ID:	382738
PubChem CID:	134974063
Reduced:	NO2C31H33 (1)
Stoich.:	AB2C31D33 (1)
Weight, g/mol:	415.287515
ΔH_f, kcal/mol:	4.6
Dipole, Da:	3.89
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6aS)-3-[(1S)-1-(dibenzylamino)-3-methylbutyl]-1-ethyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

C1C[C@H]2CC(=O)C(=C2C1)[C@H](COCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations