Geometry & MOs

Info

ID:	197652
PubChem CID:	78984070
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	417.91731
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	4.87
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-aminophenyl)methyl]-4,5-dibromo-N-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N)C(=O)CCCOC

DOS

IR

Vibrations