Geometry & MOs

Info

ID:	53064
PubChem CID:	14709498
Reduced:	NO2C19H19 (2)
Stoich.:	AB2C19D19 (2)
Weight, g/mol:	432.241293
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	4.11
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenoxyphenyl)methyl 3-[(1-ethyl-3,5-dimethylpyrazol-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)OCC5=CC(=CC=C5)OC6=CC=CC=C6

DOS

IR

Vibrations