Geometry & MOs

Info

ID:	53057
PubChem CID:	14709486
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	3.15
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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=CC=C2)C)CC3C(C3(C)C)C(=O)OC

DOS

IR

Vibrations