Geometry & MOs

Info

ID:	145553
PubChem CID:	53544331
Reduced:	OSN3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	345.166411
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	4.11
IP(EA), eV:	-8.49(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methoxypropan-2-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=CC(=C2)CN3CCSCC3

DOS

IR

Vibrations