Geometry & MOs

Info

ID:	45652
PubChem CID:	10516064
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	269.091275
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	2.55
IP(EA), eV:	-9.75(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-phenyl-1H-pyrazol-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@]12C[C@](CC[C@@H]1O)([C@H]3CC([C@@H]3C[C@@H]2O)(C)C)OC

DOS

IR

Vibrations