Geometry & MOs

Info

ID:	375599
PubChem CID:	134214073
Reduced:	O3N8C28H34 (1)
Stoich.:	A3B8C28D34 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-11.14
Dipole, Da:	8.07
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methyl-1H-imidazol-5-yl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CNC1=NC=NC(=C1)C2=CN=C3C(=C2)C=NN3CCN4CCCC4O)C5=C(C=C(C=C5)C(=O)NC)OC

DOS

IR

Vibrations