Geometry & MOs

Info

ID:	53059
PubChem CID:	14709490
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	0.88
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C(=N2)C)CC3C(C3(C)C)C(=O)OC)C

DOS

IR

Vibrations