Geometry & MOs

Info

ID:	342014
PubChem CID:	127264707
Reduced:	ClOSF2N2H11C13 (1)
Stoich.:	ABCD2E2F11G13 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	5.25
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(F)F)C(=O)C1=CN=C(S1)C2=CC=CC=C2Cl

DOS

IR

Vibrations