Geometry & MOs

Info

ID:	288324
PubChem CID:	104314980
Reduced:	ClBr2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	413.97654
ΔH_f, kcal/mol:	37.83
Dipole, Da:	2.45
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(4-methoxy-2-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C(=NN1C)C)Cl)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations