Geometry & MOs

Info

ID:	341934
PubChem CID:	127264627
Reduced:	FNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	212.071641
ΔH_f, kcal/mol:	-150.8
Dipole, Da:	2.62
IP(EA), eV:	-9.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-amino-2-methoxyethyl]benzonitrile;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C1=C(C=CC(=C1)F)O)N

DOS

IR

Vibrations