Geometry & MOs

Info

ID:	53068
PubChem CID:	14709505
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	508.236208
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	1.73
IP(EA), eV:	-8.95(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenoxyphenyl)methyl (1S,3R)-3-[(1-benzoyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C[C@@H]2[C@@H](C2(C)C)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations