Geometry & MOs

Info

ID:	443800
PubChem CID:	135260015
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	464.315127
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	5.07
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(2S,6S)-4-[[3-(diethylaminomethyl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)CC2=CC(=CC=C2)Cl)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations