Geometry & MOs

Info

ID:	372434
PubChem CID:	131297566
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	3.62
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-1-cyclopropyl-2-hydroxyethyl]phenol

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2C[C@@H]1N)O)C#N

DOS

IR

Vibrations