Geometry & MOs

Info

ID:	302837
PubChem CID:	124397296
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	185.06522
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	5.07
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-2,2-difluorocyclopropyl]oxyaniline

Drug info:

PubChemData

Smile

C1CCO[C@H](C1)OC2=C(C=C(C=C2)C=O)O[C@@H]3CCCCO3

DOS

IR

Vibrations