Geometry & MOs

Info

ID:	190957
PubChem CID:	78085882
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	69.74
Dipole, Da:	2.6
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,6-dimethylpiperidin-1-yl)acetyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CN(CC1CN2C(=O)C3=C4C=CC=CN4N=C3)C5=NC=CN=C5

DOS

IR

Vibrations