Geometry & MOs

Info

ID:	445816
PubChem CID:	135269659
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-84.7
Dipole, Da:	4.12
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)C(=O)C3=CC=CC(=C3)C4=CCOCC4

DOS

IR

Vibrations