Geometry & MOs

Info

ID:	79493
PubChem CID:	49786826
Reduced:	FSN2O6H19C20 (1)
Stoich.:	ABC2D6E19F20 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-234.85
Dipole, Da:	5.07
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)SC(=N3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)F

DOS

IR

Vibrations