Geometry & MOs

Info

ID:	445784
PubChem CID:	135269516
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	5.14
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(2-pyridin-3-ylbenzoyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](N1C)C)CC2=CC=C(C=C2)C(=O)NO

DOS

IR

Vibrations