Geometry & MOs

Info

ID:	372116
PubChem CID:	131293346
Reduced:	INOH3F5C7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	1.67
IP(EA), eV:	-10.19(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1I)CF)F)OC(F)(F)F

DOS

IR

Vibrations