Geometry & MOs

Info

ID:	30859
PubChem CID:	842016
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	5.06
IP(EA), eV:	-9.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl) 1-ethylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]([C@@H]([C@H](O1)N2C3=CC=CC=C3N=N2)O)O)O

DOS

IR

Vibrations