Geometry & MOs

Info

ID:	326466
PubChem CID:	126687618
Reduced:	FNOH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	202.15037
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	3.17
IP(EA), eV:	-9.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-N,1-N,2-trimethyl-3-N-methylsulfanylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)F)C(=O)C3=CC(=C(C=C3)O)F

DOS

IR

Vibrations