Geometry & MOs

Info

ID:	438888
PubChem CID:	135228648
Reduced:	ON2C28H34 (1)
Stoich.:	AB2C28D34 (1)
Weight, g/mol:	408.256549
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	2.5
IP(EA), eV:	-8.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C/C=C(/C(=C)C)\C(=O)/C=C\1/C2=C(CC(N1)C(C)(C)C)C=C(C(=C2)C)C3=CC(=NC=C3)C

DOS

IR

Vibrations