Geometry & MOs

Info

ID:	131451
PubChem CID:	51208119
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	1.9
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NCCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations