Geometry & MOs

Info

ID:	424978
PubChem CID:	135124677
Reduced:	BrO2F3N5H15C18 (1)
Stoich.:	AB2C3D5E15F18 (1)
Weight, g/mol:	160.14633
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	4.81
IP(EA), eV:	-9.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropane-1,3-diol;ethene

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Br)[C@@H]3C[C@H]3C4=CN(N=N4)CC(F)(F)F

DOS

IR

Vibrations