Geometry & MOs

Info

ID:	288204
PubChem CID:	104313504
Reduced:	BrN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	318.07316
ΔH_f, kcal/mol:	50.33
Dipole, Da:	3.85
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CC(C2=C(C=CC=N2)Br)N

DOS

IR

Vibrations