Geometry & MOs

Info

ID:	196917
PubChem CID:	78895407
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	6.36
IP(EA), eV:	-7.75(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl) 5-tert-butyl-2-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)CNC2=CC(=C(C=C2)NC(=O)C)OC

DOS

IR

Vibrations