Geometry & MOs

Info

ID:	69297
PubChem CID:	46530611
Reduced:	FNO3C10H10 (2)
Stoich.:	ABC3D10E10 (2)
Weight, g/mol:	342.113506
ΔH_f, kcal/mol:	-278.33
Dipole, Da:	7.43
IP(EA), eV:	-8.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OCC(=O)N)OC)OC(F)F

DOS

IR

Vibrations