Geometry & MOs

Info

ID:	270050
PubChem CID:	103624077
Reduced:	BrIN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	285.97755
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	1.12
IP(EA), eV:	-9.34(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(cyanomethyl)-N-propylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(C)C)C(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations