Geometry & MOs

Info

ID:	18375
PubChem CID:	540039
Reduced:	NOF5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	281.083905
ΔH_f, kcal/mol:	-225.11
Dipole, Da:	4.17
IP(EA), eV:	-9.65(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aziridin-1-yl)-2-(2,3,4,5,6-pentafluorophenyl)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1CC1)(C2=C(C(=C(C(=C2F)F)F)F)F)O

DOS

IR

Vibrations