Geometry & MOs

Info

ID:	129020
PubChem CID:	51066715
Reduced:	FO2N3C30H30 (1)
Stoich.:	AB2C3D30E30 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[[5-(3-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN(CC2CC2)C(=O)C3=CC=C(C=C3)C)OC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations