Geometry & MOs

Info

ID:	168942
PubChem CID:	75044015
Reduced:	ClFN3O3C25H29 (1)
Stoich.:	ABC3D3E25F29 (1)
Weight, g/mol:	462.07097
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	6.46
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-(2-piperidin-1-ylethoxy)phenyl]-3-(2-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCCOC4=C(C=C(C=C4)F)Cl)O

DOS

IR

Vibrations