Geometry & MOs

Info

ID:	260144
PubChem CID:	103182962
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	5.18
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylphenoxy)methyl]-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN2C=CC=C(C2=O)Br

DOS

IR

Vibrations