Geometry & MOs

Info

ID:	230850
PubChem CID:	87572136
Reduced:	HOSC5F9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	362.035561
ΔH_f, kcal/mol:	-483.15
Dipole, Da:	2.16
IP(EA), eV:	-10.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1-aminocyclopropyl)methoxy]-2-chloropyridin-3-yl]phenol;dihydrochloride

Drug info:

PubChemData

Smile

C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S

DOS

IR

Vibrations