Geometry & MOs

Info

ID:	208527
PubChem CID:	80540426
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	7.82
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(3-methylpiperidine-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=CC(=C1)Cl)C#N)C(=O)O

DOS

IR

Vibrations