Geometry & MOs

Info

ID:	126512
PubChem CID:	50967132
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-142.41
Dipole, Da:	5.51
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)C2=CC=C(C=C2)CN3C[C@@H](C[C@H]3C(=O)OC)O

DOS

IR

Vibrations