Geometry & MOs

Info

ID:	222627
PubChem CID:	85305645
Reduced:	FeNO5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	383.161388
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	7.07
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylazanium;(3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl)methanesulfonate

Drug info:

PubChemData

Smile

CC([CH][CH][CH]C(=O)C)N(CC1=CC=CC=C1)[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

DOS

IR

Vibrations