Geometry & MOs

Info

ID:	154843
PubChem CID:	56314385
Reduced:	FN3O4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	466.219175
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	6.96
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations