Geometry & MOs

Info

ID:	53058
PubChem CID:	14709488
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	2.52
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)CC4C(C4(C)C)C(=O)OC

DOS

IR

Vibrations