Geometry & MOs

Info

ID:	126712
PubChem CID:	50974495
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	296.174945
ΔH_f, kcal/mol:	-17.96
Dipole, Da:	7.6
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-dimethyl-6-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=CC(=O)NN=C4

DOS

IR

Vibrations