Geometry & MOs

Info

ID:	244008
PubChem CID:	99309251
Reduced:	O2N3F4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	384.139782
ΔH_f, kcal/mol:	-290.59
Dipole, Da:	4.02
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCNC(=O)CC2=CC=C(C=C2)F)CC(F)(F)F

DOS

IR

Vibrations