Geometry & MOs

Info

ID:	53062
PubChem CID:	14709494
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	3.83
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)CC3C(C3(C)C)C(=O)OC

DOS

IR

Vibrations