Geometry & MOs

Info

ID:	396285
PubChem CID:	135027922
Reduced:	N6H12C13 (1)
Stoich.:	A6B12C13 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	106.35
Dipole, Da:	2.68
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-cyclohexyl-2-oxo-3-prop-2-enylindole-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(N3C2=C(C(=N3)N)C#N)N)C#N

DOS

IR

Vibrations