Geometry & MOs

Info

ID:	341936
PubChem CID:	127264629
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	199.076392
ΔH_f, kcal/mol:	11.73
Dipole, Da:	5.72
IP(EA), eV:	-9.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(1S)-1-aminoethyl]phenyl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations