Geometry & MOs

Info

ID:	45478
PubChem CID:	10514035
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	60.64
Dipole, Da:	7.75
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-(dimethylamino)cyclohexyl] imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=NC(=CC(=C31)OC)C#N

DOS

IR

Vibrations