Geometry & MOs

Info

ID:	53063
PubChem CID:	14709497
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	586.283158
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	3.63
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC3=CC=CC=C32)C)C[C@@H]4[C@@H](C4(C)C)C(=O)OC

DOS

IR

Vibrations