Geometry & MOs

Info

ID:	402349
PubChem CID:	135055630
Reduced:	FN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	4.77
IP(EA), eV:	-10.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[cyclohexyl(hydroxy)methylidene]-7-methoxy-4-methyl-1,4-dihydronaphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=CC=CC=C1F)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations