Geometry & MOs

Info

ID:	131939
PubChem CID:	51282885
Reduced:	ON2F3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-170.82
Dipole, Da:	6.36
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=CC=C2)C(F)(F)F)C(=O)NCCC3=CC=CC=N3

DOS

IR

Vibrations