Geometry & MOs

Info

ID:	134540
PubChem CID:	51712121
Reduced:	NC9H20 (1)
Stoich.:	AB9C20 (1)
Weight, g/mol:	141.15175
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754054
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-N,2,3-trimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)[NH2+]C

DOS

IR

Vibrations