Geometry & MOs

Info

ID:	48963
PubChem CID:	11528528
Reduced:	LiNOSC10H10 (1)
Stoich.:	ABCDE10F10 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	6.83
IP(EA), eV:	-8.48(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(propanoylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

[Li+].C1[C@H](N=C(O1)[S-])CC2=CC=CC=C2

DOS

IR

Vibrations