Geometry & MOs

Info

ID:	445820
PubChem CID:	135269672
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	4.37
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(2-pyridin-4-ylbenzoyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=COC=N2)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations