Geometry & MOs

Info

ID:	126426
PubChem CID:	50964612
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	65.51
Dipole, Da:	2.47
IP(EA), eV:	-9.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S,3aS,6aR)-3-(3-chloro-4-ethoxyphenyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=NNC2=O)CN3C=CC=N3

DOS

IR

Vibrations