Geometry & MOs

Info

ID:	438999
PubChem CID:	135228761
Reduced:	ON4C28H34 (1)
Stoich.:	AB4C28D34 (1)
Weight, g/mol:	559.304621
ΔH_f, kcal/mol:	14.44
Dipole, Da:	9.44
IP(EA), eV:	-8.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=C)CC)C(C)(C)C)C4=CN=C(N=C4)NC

DOS

IR

Vibrations