Geometry & MOs

Info

ID:	272968
PubChem CID:	103769329
Reduced:	INO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	4.86
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methyl-N-[1-(oxan-4-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC(=O)C2=CC=CC=C2I

DOS

IR

Vibrations