Geometry & MOs

Info

ID:	427260
PubChem CID:	135156513
Reduced:	Cl2N7H21C26 (1)
Stoich.:	A2B7C21D26 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	143.11
Dipole, Da:	4.94
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[[(2S,5R)-4-(2-hydroxy-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl

DOS

IR

Vibrations