Geometry & MOs

Info

ID:	383204
PubChem CID:	134974793
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	441.106851
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	4.47
IP(EA), eV:	-8.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC(=O)/C(=C(\C=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)/NO)/C(=C1)OC

DOS

IR

Vibrations