Geometry & MOs

Info

ID:	325929
PubChem CID:	126685634
Reduced:	OSF2N3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	374.144199
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	2.2
IP(EA), eV:	-9.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-1-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCSNC1=C(C(=C(C=C1)F)C(=O)C2=CC3=NC=CN=C3C=C2)F

DOS

IR

Vibrations