Geometry & MOs

Info

ID:	153573
PubChem CID:	56312823
Reduced:	OF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	381.177645
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	5.65
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCCC3=C2C=NN3C)C(F)(F)F

DOS

IR

Vibrations