Geometry & MOs

Info

ID:	341935
PubChem CID:	127264628
Reduced:	ClON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	7.5
IP(EA), eV:	-9.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations