Geometry & MOs

Info

ID:	417554
PubChem CID:	135102029
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	309.195346
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	7.72
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4,6-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations