Geometry & MOs

Info

ID:	421747
PubChem CID:	135116529
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	6.05
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-(2-methyl-2-pyrrol-1-ylpropanoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CCC3=NNC(=O)C=C3)OCC1

DOS

IR

Vibrations