Geometry & MOs

Info

ID:	393973
PubChem CID:	135022076
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	336.02968
ΔH_f, kcal/mol:	20.18
Dipole, Da:	3.86
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(4-hydroxy-3,3-dimethylbutylidene)oxolan-2-one;samarium

Drug info:

PubChemData

Smile

C=CCCC1=C(C(=CN1)C2=CC=CC=C2)C(=O)CCC=C

DOS

IR

Vibrations