Geometry & MOs

Info

ID:	445906
PubChem CID:	135269910
Reduced:	O2N7C26H33 (1)
Stoich.:	A2B7C26D33 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	24.23
Dipole, Da:	3.64
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C1=NC=CC(=C1)C2=NN(C(O2)C3=C(N(CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C)C)N)C

DOS

IR

Vibrations