Geometry & MOs

Info

ID:	149561
PubChem CID:	53789234
Reduced:	N2C21H38 (1)
Stoich.:	A2B21C38 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	0.81
IP(EA), eV:	-8.74(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-3-penta-2,4-dienylcyclopenten-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCNC(CN)C1=CC(=CC(=C1)CC(C)C)CC(C)C

DOS

IR

Vibrations