Geometry & MOs

Info

ID:	167827
PubChem CID:	74883670
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	4.14
IP(EA), eV:	-9.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-hydroxy-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(C2C1CNC2)C(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations