Geometry & MOs

Info

ID:	438942
PubChem CID:	135228703
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	13.43
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3Z)-1-(2-cyclohexylethyl)-2-ethenyl-3-prop-2-enylidene-1H-isoindole

Drug info:

PubChemData

Smile

CCC1=CC2=C(CC(N3C2=CC(=O)C(=C3)C(=O)O)C(C)(C)C)C=C1C

DOS

IR

Vibrations