Geometry & MOs

Info

ID:	140726
PubChem CID:	52747667
Reduced:	ClN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	389.163195
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	3.81
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)CN2CCC[C@H]2CC3=CC=CC=C3Cl

DOS

IR

Vibrations