Geometry & MOs

Info

ID:	248685
PubChem CID:	103083610
Reduced:	BrON2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	305.05276
ΔH_f, kcal/mol:	10.38
Dipole, Da:	3.66
IP(EA), eV:	-9.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-2-(4-bromo-2-methylphenyl)ethyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=O)C2=C(C=CN=C2)N

DOS

IR

Vibrations