Geometry & MOs

Info

ID:	270150
PubChem CID:	103630532
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	339.0041
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	1.82
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCCNC(=O)C2=CC(=C(C=C2)Cl)N

DOS

IR

Vibrations