Geometry & MOs

Info

ID:	402949
PubChem CID:	135058002
Reduced:	BN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	291.054084
ΔH_f, kcal/mol:	-163.64
Dipole, Da:	6.16
IP(EA), eV:	-7.86(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,7bS)-1a-methyl-3-(trifluoromethylsulfonyl)-2,7b-dihydro-1H-cyclopropa[c]quinoline

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC)/C=N/N(C)C

DOS

IR

Vibrations