Geometry & MOs

Info

ID:	269560
PubChem CID:	103617955
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	322.99795
ΔH_f, kcal/mol:	-135.98
Dipole, Da:	3.32
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(4-ethylphenyl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)NC(=O)C2CCC(=O)NC2)OC

DOS

IR

Vibrations