Geometry & MOs

Info

ID:	313179
PubChem CID:	126612378
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	424.136925
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	2.3
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-(2-methylpyridin-4-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C(CC/C=C\C=C/C=C)NC

DOS

IR

Vibrations