Geometry & MOs

Info

ID:	80471
PubChem CID:	49834609
Reduced:	FNBr2O2H8C15 (1)
Stoich.:	ABC2D2E8F15 (1)
Weight, g/mol:	345.051417
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	1.44
IP(EA), eV:	-9.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-[chloro(difluoro)methyl]-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)/C(=C\C3=CC(=C(C(=C3)Br)O)Br)/C(=O)N2

DOS

IR

Vibrations