Geometry & MOs

Info

ID:	445814
PubChem CID:	135269655
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	2.94
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)CC(C)C)C)CC2=CC=C(C=C2)C(=O)NO

DOS

IR

Vibrations