Geometry & MOs

Info

ID:	196812
PubChem CID:	78881220
Reduced:	FON4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	21.28
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3NC(=O)CCC4=CC(=CC=C4)F

DOS

IR

Vibrations