Geometry & MOs

Info

ID:	38463
PubChem CID:	8106451
Reduced:	ClO2F3N3C19H19 (1)
Stoich.:	AB2C3D3E19F19 (1)
Weight, g/mol:	397.19209
ΔH_f, kcal/mol:	-192.19
Dipole, Da:	8.56
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)CC(=O)NC2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations