Geometry & MOs

Info

ID:	271431
PubChem CID:	103677358
Reduced:	ClNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	301.144471
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	2.44
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-methoxyphenyl)methylamino]-3-(2-methylpropoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CNCC2=C(C=CC=C2Cl)OC

DOS

IR

Vibrations