Geometry & MOs

Info

ID:	267399
PubChem CID:	103582109
Reduced:	BrN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	319.06841
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	3.03
IP(EA), eV:	-8.28(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=CC(=C(C(=C2)C)Br)C

DOS

IR

Vibrations