Geometry & MOs

Info

ID:	423879
PubChem CID:	135120595
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-157.03
Dipole, Da:	4.67
IP(EA), eV:	-8.91(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-methylphthalazin-1-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CCN3CCOCC3

DOS

IR

Vibrations