Geometry & MOs

Info

ID:	217676
PubChem CID:	85088199
Reduced:	FSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	388.188589
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	13.92
IP(EA), eV:	-9.48(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,9-dimethoxy-1,3-dimethyl-6-propan-2-yloxy-3,4-dihydro-1H-benzo[h]isochromen-4-yl) acetate

Drug info:

PubChemData

Smile

C1CN(CC1NCC2=CC=CS2)C3=NC4=NC=C(C(=O)C4C=C3F)C(=O)O

DOS

IR

Vibrations