Geometry & MOs

Info

ID:	421422
PubChem CID:	135115960
Reduced:	ClN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	3.74
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CC=CC=C3Cl)CO

DOS

IR

Vibrations