Geometry & MOs

Info

ID:	445780
PubChem CID:	135269486
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-35.28
Dipole, Da:	5.97
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,6-dimethyl-4-(2-pyridin-3-ylbenzoyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC=C(C)C)C)CC2=CC=C(C=C2)C(=O)NO

DOS

IR

Vibrations