Geometry & MOs

Info

ID:	423009
PubChem CID:	135118757
Reduced:	ClNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	2.7
IP(EA), eV:	-9.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCOC[C@H]1NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations