Geometry & MOs

Info

ID:	165504
PubChem CID:	74558968
Reduced:	N2O2C16H25 (1)
Stoich.:	A2B2C16D25 (1)
Weight, g/mol:	370.136257
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	1.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763464
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethoxy)-N-(4-fluorophenyl)sulfonylmethanimidate

Drug info:

PubChemData

Smile

CCC(C)[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations