Geometry & MOs

Info

ID:	387938
PubChem CID:	134987469
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	188.156501
ΔH_f, kcal/mol:	55.76
Dipole, Da:	2.38
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3,4-dimethylhex-2-enyl]benzene

Drug info:

PubChemData

Smile

C=CCCN(C#C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations