Geometry & MOs

Info

ID:	435867
PubChem CID:	135192617
Reduced:	NC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	237.067094
ΔH_f, kcal/mol:	77.84
Dipole, Da:	2.29
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(cyclohexanecarbonyloxyamino)methanesulfonic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=CC=N2)C=C1)N=CC=C

DOS

IR

Vibrations