Geometry & MOs

Info

ID:	308884
PubChem CID:	126531770
Reduced:	FON7H22C28 (1)
Stoich.:	ABC7D22E28 (1)
Weight, g/mol:	251.97098
ΔH_f, kcal/mol:	114.87
Dipole, Da:	6.5
IP(EA), eV:	-8.77(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyrimidin-2-yl)-1,3-difluoropropan-2-ol

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC=C6)F

DOS

IR

Vibrations