Geometry & MOs

Info

ID:	413998
PubChem CID:	135086951
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	305.189198
ΔH_f, kcal/mol:	56.8
Dipole, Da:	1.96
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(tert-butyliminomethyl)-1-methylindol-3-yl]hex-5-ynenitrile

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1/C=N/O)C=C

DOS

IR

Vibrations