Geometry & MOs

Info

ID:	255939
PubChem CID:	103135747
Reduced:	F2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	3.45
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-methyloxolan-2-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=C(C=C(C(=C2)C)F)F

DOS

IR

Vibrations