Geometry & MOs

Info

ID:	445882
PubChem CID:	135269866
Reduced:	N3O3C29H41 (1)
Stoich.:	A3B3C29D41 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	2.82
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(3R)-3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CCCC(=C2)CN3CCOCC3)C)CC4=CC=C(C=C4)/C=C/C(=O)OC

DOS

IR

Vibrations