Geometry & MOs

Info

ID:	430808
PubChem CID:	135170875
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	142.146999
ΔH_f, kcal/mol:	7.81
Dipole, Da:	5.84
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-N-ethylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CCN([C@@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations