Geometry & MOs

Info

ID:	200939
PubChem CID:	79465502
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	2.73
IP(EA), eV:	-9.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)OCC2=CC=NC=C2)N

DOS

IR

Vibrations