Geometry & MOs

Info

ID:	140094
PubChem CID:	52646029
Reduced:	ClOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	469.1001
ΔH_f, kcal/mol:	70.33
Dipole, Da:	2.52
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenoxy)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations