Geometry & MOs

Info

ID:	141844
PubChem CID:	52937364
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	346.185235
ΔH_f, kcal/mol:	29.21
Dipole, Da:	9.87
IP(EA), eV:	-8.38(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,5R)-6-[[1-(3-hydroxy-2,2-dimethylpropyl)triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=C(N=CC(=C3C=CC(=O)C=C3)N2)N

DOS

IR

Vibrations