Geometry & MOs

Info

ID:	207697
PubChem CID:	80439313
Reduced:	BrSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	18.08
Dipole, Da:	1.92
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenyl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C2=NC(=C(C(=N2)NCC)Br)CC(C)C

DOS

IR

Vibrations