Geometry & MOs

Info

ID:	292008
PubChem CID:	114007567
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	273.168856
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	6.24
IP(EA), eV:	-10.08(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CN2C=NN=C2CN1C(=O)NCCC(C(=O)O)O

DOS

IR

Vibrations