Geometry & MOs

Info

ID:	131396
PubChem CID:	51200294
Reduced:	FN4O5H11C18 (1)
Stoich.:	AB4C5D11E18 (1)
Weight, g/mol:	355.115462
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	8.71
IP(EA), eV:	-9.66(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations