Geometry & MOs

Info

ID:	198502
PubChem CID:	79110505
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	3.71
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-(methylamino)cyclohexyl]-5-nitrothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=CC=CO2)C=O

DOS

IR

Vibrations