Geometry & MOs

Info

ID:	129082
PubChem CID:	51069501
Reduced:	FN3O4C28H28 (1)
Stoich.:	AB3C4D28E28 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	4.18
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-cyclopropyl-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN(CC2CCCO2)C(=O)C3=CC=CO3)OC4=CC(=CC=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations