Geometry & MOs

Info

ID:	258605
PubChem CID:	103155566
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	283.150761
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	2.96
IP(EA), eV:	-9.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)CN

DOS

IR

Vibrations