Geometry & MOs

Info

ID:	165960
PubChem CID:	74619573
Reduced:	F2N3O6H15C21 (1)
Stoich.:	A2B3C6D15E21 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-171.39
Dipole, Da:	4.48
IP(EA), eV:	-9.28(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-phenylprop-2-enoylamino)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NOC(=N2)C(=CC3=CC=CC=C3OCC(=O)O)C#N)OC(F)F

DOS

IR

Vibrations