Geometry & MOs

Info

ID:	445886
PubChem CID:	135269872
Reduced:	OSN9C26H39 (1)
Stoich.:	ABC9D26E39 (1)
Weight, g/mol:	407.182062
ΔH_f, kcal/mol:	96.29
Dipole, Da:	5.87
IP(EA), eV:	-7.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CN1CC=C(C(=C1NCCN(C)C)N(C)SC)C2=NC(=C(N(C2)C)N)C3N(N=C(O3)C4=CC=CC=C4)C

DOS

IR

Vibrations