Geometry & MOs

Info

ID:	160903
PubChem CID:	57390184
Reduced:	N3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	7.05
IP(EA), eV:	-9.76(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1C[C@](C[C@H]1N=C(N)N)(C(=O)O)O

DOS

IR

Vibrations