Geometry & MOs

Info

ID:	445796
PubChem CID:	135269592
Reduced:	FO3N4C32H47 (1)
Stoich.:	AB3C4D32E47 (1)
Weight, g/mol:	416.161518
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	3.88
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)COCC3CCN(CC3)CC(C)(C)F)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations