Geometry & MOs

Info

ID:	399767
PubChem CID:	135042462
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	267.1987
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	1.73
IP(EA), eV:	-9.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-tert-butylcyclohexylidene)prop-1-ynyl]aniline

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CCC=C)C#CC1=CC=CC=C1

DOS

IR

Vibrations