Geometry & MOs

Info

ID:	216376
PubChem CID:	85086124
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	59.52
Dipole, Da:	3.87
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trimethylhept-3-enyl benzoate

Drug info:

PubChemData

Smile

CN1CCC2=C3C1CC4=CC=CC5=CN=C(C3=C45)C=C2

DOS

IR

Vibrations