Geometry & MOs

Info

ID:	445821
PubChem CID:	135269673
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	4.16
IP(EA), eV:	-9.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[4-(dimethylamino)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C2=CC=CC=C2C3=CC=NC=C3)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations