Geometry & MOs

Info

ID:	218430
PubChem CID:	85089430
Reduced:	NO3C30H43 (1)
Stoich.:	AB3C30D43 (1)
Weight, g/mol:	465.179475
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	4.39
IP(EA), eV:	-8.51(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-4-(trifluoromethyl)phenyl]-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)C=CC(=O)N(C)C)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C

DOS

IR

Vibrations