Geometry & MOs

Info

ID:	69335
PubChem CID:	46530726
Reduced:	OF3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	3.98
IP(EA), eV:	-9.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations