Geometry & MOs

Info

ID:	395046
PubChem CID:	135024515
Reduced:	LiNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	280.191269
ΔH_f, kcal/mol:	88.08
Dipole, Da:	28.64
IP(EA), eV:	-5.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,6S,9R)-2,9-dihydroxy-4-methyl-13-azoniatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

Drug info:

PubChemData

Smile

[Li+].CC1(COC(=N1)C2([CH-]O2)C3=CC=CC=C3)C

DOS

IR

Vibrations