Geometry & MOs

Info

ID:	288309
PubChem CID:	104314896
Reduced:	OBr2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	399.96089
ΔH_f, kcal/mol:	18.32
Dipole, Da:	1.69
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(2-methoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(C=C1)OC)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations