Geometry & MOs

Info

ID:	264467
PubChem CID:	103463336
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	5.03
Dipole, Da:	4.04
IP(EA), eV:	-8.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,2-dimethylbutylcarbamoyl)piperidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NC2=CC=C(C=C2)SC

DOS

IR

Vibrations