Geometry & MOs

Info

ID:	242574
PubChem CID:	97857412
Reduced:	FN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	5.68
IP(EA), eV:	-8.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(1S)-1-(furan-3-yl)ethyl]amino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)OC)F)NC2=CC3=C(CNC3=O)C=C2

DOS

IR

Vibrations