Geometry & MOs

Info

ID:	413682
PubChem CID:	135086631
Reduced:	NC12H17 (2)
Stoich.:	AB12C17 (2)
Weight, g/mol:	320.225249
ΔH_f, kcal/mol:	47.45
Dipole, Da:	2.32
IP(EA), eV:	-7.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1-[3-(2-cyclohexylethynyl)-1-methylindol-2-yl]methanimine

Drug info:

PubChemData

Smile

CCCCCCCCC#CC1=C(N(C2=CC=CC=C21)C)C=NC(C)(C)C

DOS

IR

Vibrations