Geometry & MOs

Info

ID:	130910
PubChem CID:	51126145
Reduced:	NOF2C12H14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-257.23
Dipole, Da:	9.0
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations