Geometry & MOs

Info

ID:	374801
PubChem CID:	131345985
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	235.082013
ΔH_f, kcal/mol:	-101.65
Dipole, Da:	2.68
IP(EA), eV:	-8.27(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-2-hydroxypropyl]-2-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H](COC2=C1)N)O

DOS

IR

Vibrations