Geometry & MOs

Info

ID:	295644
PubChem CID:	117541277
Reduced:	NOCl2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	3.89
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol

Drug info:

PubChemData

Smile

CNCC(CO)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations