Geometry & MOs

Info

ID:	389674
PubChem CID:	134994409
Reduced:	ClNOSC10H12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	20.24
Dipole, Da:	3.65
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-nitropropan-2-yl]cyclohexane

Drug info:

PubChemData

Smile

C1CCC(C(C1)N=O)(C2=CSC=C2)Cl

DOS

IR

Vibrations