Geometry & MOs

Info

ID:	265471
PubChem CID:	103524061
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	347.07322
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	3.31
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol

Drug info:

PubChemData

Smile

CCCNC1=NC=NC(=C1)C2=C(C(=C(C=C2)OC)Br)OC

DOS

IR

Vibrations