Geometry & MOs

Info

ID:	295003
PubChem CID:	117511340
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	5.07
IP(EA), eV:	-8.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1C(CNC)O)Br)OCCO2

DOS

IR

Vibrations