Geometry & MOs

Info

ID:	327335
PubChem CID:	126689573
Reduced:	SO3F4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	439.214744
ΔH_f, kcal/mol:	-299.67
Dipole, Da:	5.02
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,1aS,6aR)-4-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=C(C=C2CCC(C2=C1)C3=CC=CC=C3C(F)(F)F)F

DOS

IR

Vibrations