Geometry & MOs

Info

ID:	279420
PubChem CID:	103843887
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	5.16
IP(EA), eV:	-9.59(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C12CC3CC(C1)CC(C3)C2)CO

DOS

IR

Vibrations