Geometry & MOs

Info

ID:	245314
PubChem CID:	99443286
Reduced:	ClO2N5C25H34 (1)
Stoich.:	AB2C5D25E34 (1)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	6.06
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC(=O)N4C[C@@H](C[C@H](C4)C)C

DOS

IR

Vibrations