Geometry & MOs

Info

ID:	29520
PubChem CID:	834688
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	287.05209
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	8.83
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-bromo-4-methoxyphenyl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations