Geometry & MOs

Info

ID:	126717
PubChem CID:	50974606
Reduced:	N3O3H19C23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	3.81
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(CC(=O)N2)C3=C(N=C4N3C=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations