Geometry & MOs

Info

ID:	419590
PubChem CID:	135108485
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	359.200905
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	1.01
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations