Geometry & MOs

Info

ID:	445923
PubChem CID:	135269943
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	48.94
Dipole, Da:	1.99
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C2=NCCN=C2

DOS

IR

Vibrations