Geometry & MOs

Info

ID:	158836
PubChem CID:	56479530
Reduced:	OS2N6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	378.18559
ΔH_f, kcal/mol:	78.75
Dipole, Da:	5.9
IP(EA), eV:	-9.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclopentylmethylamino)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CN3C=NC=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations