Geometry & MOs

Info

ID:	126877
PubChem CID:	50982936
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	25.62
Dipole, Da:	3.08
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC2=NNC(=O)N2C3=C(ON=C3C)C

DOS

IR

Vibrations