Geometry & MOs

Info

ID:	407566
PubChem CID:	135080313
Reduced:	NH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	226.172151
ΔH_f, kcal/mol:	65.58
Dipole, Da:	4.15
IP(EA), eV:	-8.58(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-8,8-dimethylnon-3-en-6-ynyl]benzene

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CN=C2)C3=CC=CC=C3

DOS

IR

Vibrations