Geometry & MOs

Info

ID:	178422
PubChem CID:	76326977
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	289.161269
ΔH_f, kcal/mol:	-202.26
Dipole, Da:	3.64
IP(EA), eV:	-9.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-N,N-dipropyl-3,4-dihydropyrazole-2-carbothioamide

Drug info:

PubChemData

Smile

C/C(=N\OCC1=CC=CC=C1C(C(=O)NC)OC)/C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations