Geometry & MOs

Info

ID:	290467
PubChem CID:	104595932
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-64.65
Dipole, Da:	6.85
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-acetamido-1,3-thiazol-4-yl)methyl]-2-methylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCN1C2=CC=NC=C2)C(=O)O

DOS

IR

Vibrations