Geometry & MOs

Info

ID:	433250
PubChem CID:	135173387
Reduced:	ON8C20H22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	199.204848
ΔH_f, kcal/mol:	58.87
Dipole, Da:	2.79
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminocyclohexyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NC3=C(N12)N=C(C=C3)C4=CN=C(N=C4)N5CCN6[C@H](C5)CNC6=O

DOS

IR

Vibrations