Geometry & MOs

Info

ID:	288304
PubChem CID:	104314869
Reduced:	ClBr2N2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	413.97654
ΔH_f, kcal/mol:	45.45
Dipole, Da:	2.33
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations