Geometry & MOs

Info

ID:	197036
PubChem CID:	78911650
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	424.95951
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	2.59
IP(EA), eV:	-8.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-[3-(4-methylpiperazin-1-yl)propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C(C)OC1=C(C=CC(=C1)C(C)C)C

DOS

IR

Vibrations