Geometry & MOs

Info

ID:	198210
PubChem CID:	79066939
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	280.226312
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	2.19
IP(EA), eV:	-8.59(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)cyclohexyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C2(CCCCC2)N(C)C)O

DOS

IR

Vibrations