Geometry & MOs

Info

ID:	154580
PubChem CID:	56314046
Reduced:	FSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	414.18559
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	4.62
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations