Geometry & MOs

Info

ID:	71154
PubChem CID:	48414367
Reduced:	ClON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	14.25
Dipole, Da:	1.79
IP(EA), eV:	-9.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=CC=CC=C2Cl

DOS

IR

Vibrations