Geometry & MOs

Info

ID:	431106
PubChem CID:	135171176
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	198.209599
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	3.53
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-N-butan-2-yl-1-N-ethylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CCN[C@H]1CCC[C@H](C1)NCC2=CC3=C(C=C2)N=CO3

DOS

IR

Vibrations