Geometry & MOs

Info

ID:	46958
PubChem CID:	10528654
Reduced:	O4C13H19 (2)
Stoich.:	A4B13C19 (2)
Weight, g/mol:	478.283158
ΔH_f, kcal/mol:	-387.57
Dipole, Da:	6.42
IP(EA), eV:	-10.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)OC=O)C

DOS

IR

Vibrations