Geometry & MOs

Info

ID:	154203
PubChem CID:	56313608
Reduced:	O2F3N4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	472.137669
ΔH_f, kcal/mol:	-199.25
Dipole, Da:	4.08
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCN(CC2)CC3=CC(=CC=C3)OC)C(F)(F)F

DOS

IR

Vibrations