Geometry & MOs

Info

ID:	126166
PubChem CID:	50954254
Reduced:	ON4C22H36 (1)
Stoich.:	AB4C22D36 (1)
Weight, g/mol:	358.204513
ΔH_f, kcal/mol:	-47.82
Dipole, Da:	5.1
IP(EA), eV:	-8.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,3aR,6aS)-5-methyl-1-naphthalen-1-yl-3-phenyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CCN2CCN(CC2)CC3CCN(CC3)C

DOS

IR

Vibrations