Geometry & MOs

Info

ID:	154432
PubChem CID:	56313869
Reduced:	O2F3N4C21H31 (1)
Stoich.:	A2B3C4D21E31 (1)
Weight, g/mol:	452.192292
ΔH_f, kcal/mol:	-243.72
Dipole, Da:	1.74
IP(EA), eV:	-9.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C(=O)CCC3CCCCC3)C(F)(F)F

DOS

IR

Vibrations