Geometry & MOs

Info

ID:	43126
PubChem CID:	10318858
Reduced:	SN3O7C16H23 (1)
Stoich.:	AB3C7D16E23 (1)
Weight, g/mol:	401.219174
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	6.06
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;9-[1-(benzotriazol-1-yl)-3-pyrrolidin-1-ylpropyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC)OC)OC)N=[N+]=[N-]

DOS

IR

Vibrations