Geometry & MOs

Info

ID:	417110
PubChem CID:	135091390
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	4.52
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NC=C2)N)C3=NC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations