Geometry & MOs

Info

ID:	158776
PubChem CID:	56468389
Reduced:	FO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	3.93
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butylcyclopentyl)-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)CCC2=NC(=NO2)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations