Geometry & MOs

Info

ID:	30105
PubChem CID:	839980
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	5.48
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-cyclohexyl-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(O1)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations