Geometry & MOs

Info

ID:	154722
PubChem CID:	56314236
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	481.230074
ΔH_f, kcal/mol:	-4.74
Dipole, Da:	0.89
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations