Geometry & MOs

Info

ID:	445901
PubChem CID:	135269898
Reduced:	O2N7C22H27 (1)
Stoich.:	A2B7C22D27 (1)
Weight, g/mol:	337.216555
ΔH_f, kcal/mol:	60.76
Dipole, Da:	3.12
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(C1)C2=NN=C(O2)/C(=C(\N)/N=C)/N=C(C)C3=CC=C(C=C3)C(N(C)C)O

DOS

IR

Vibrations