Geometry & MOs

Info

ID:	419155
PubChem CID:	135107614
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	3.9
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations