Geometry & MOs

Info

ID:	425530
PubChem CID:	135126634
Reduced:	N2F3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-208.37
Dipole, Da:	5.48
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminocyclohexyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OC(F)(F)F)CNC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations