Geometry & MOs

Info

ID:	445828
PubChem CID:	135269690
Reduced:	F2O2N4C25H32 (1)
Stoich.:	A2B2C4D25E32 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	3.67
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[2-(furan-3-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)CN3CC(C3)(F)F)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations