Geometry & MOs

Info

ID:	326193
PubChem CID:	126687042
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	2.38
IP(EA), eV:	-8.73(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6aS)-5-hydroxy-5-(3-methoxyphenyl)-3a-methyl-N-(4-methylphenyl)-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1CCC3=CC=CC=C3)CCC4=CC=C(C=C4)O

DOS

IR

Vibrations