Geometry & MOs

Info

ID:	288294
PubChem CID:	104314764
Reduced:	OBr2N2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	397.98162
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	0.42
IP(EA), eV:	-8.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCOCC(C1=C(C=C(C=N1)Br)Br)NC

DOS

IR

Vibrations