Geometry & MOs

Info

ID:	297893
PubChem CID:	117636402
Reduced:	ClFN2O3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-113.51
Dipole, Da:	2.96
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methylidene-1-(1,1,6-trimethyl-5,6,7,8-tetrahydroisochromen-4-yl)hex-1-en-1-ol

Drug info:

PubChemData

Smile

C1COC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations