Geometry & MOs

Info

ID:	445799
PubChem CID:	135269609
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	2.29
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)CCC2=CC=CC=C2)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations