Geometry & MOs

Info

ID:	326365
PubChem CID:	126687397
Reduced:	NO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	2.18
IP(EA), eV:	-8.63(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)O)C(C)N2C[C@H]3CC(C[C@H]3C2)(CCC4=CC=CC=C4)O

DOS

IR

Vibrations