Geometry & MOs

Info

ID:	273516
PubChem CID:	103771279
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	1.38
IP(EA), eV:	-9.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations