Geometry & MOs

Info

ID:	343784
PubChem CID:	127266960
Reduced:	FSN2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	333.165269
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	6.44
IP(EA), eV:	-8.49(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCC[C@H]2C(=O)N=S(=O)(C)C)F

DOS

IR

Vibrations