Geometry & MOs

Info

ID:	36372
PubChem CID:	8004335
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	5.9
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](CNCC1=C(C=CC(=C1)Cl)OCC=C)O

DOS

IR

Vibrations