Geometry & MOs

Info

ID:	373273
PubChem CID:	131312478
Reduced:	NOF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	301.98038
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	3.99
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-iodo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=C(C=CC=C2O)C(F)F)N

DOS

IR

Vibrations