Geometry & MOs

Info

ID:	258684
PubChem CID:	103156326
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	7.58
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-amino-3-methoxybutanoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=C(C=C(C=C2)CN)[N+](=O)[O-])O

DOS

IR

Vibrations