Geometry & MOs

Info

ID:	381424
PubChem CID:	134972150
Reduced:	ON2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	30.25
Dipole, Da:	2.7
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-methyl-5-[(E)-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-en-2-ynylidene]furan-2-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1=O)C(=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations