Geometry & MOs

Info

ID:	67924
PubChem CID:	46507437
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	396.130777
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	4.87
IP(EA), eV:	-8.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)-[4-[5-(4-methoxyphenyl)thiophen-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(S3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations