Geometry & MOs

Info

ID:	201939
PubChem CID:	79606625
Reduced:	ClOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	1.9
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=CC(=CS2)C(=O)N)Cl

DOS

IR

Vibrations