Geometry & MOs

Info

ID:	59240
PubChem CID:	24775811
Reduced:	F2O2N3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	6.05
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C)C3=NC=C(C=C3)NC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations