Geometry & MOs

Info

ID:	202885
PubChem CID:	79738293
Reduced:	N2C17H28 (1)
Stoich.:	A2B17C28 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	3.29
IP(EA), eV:	-8.62(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-[(1-methylimidazol-2-yl)methyl]-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC(C)CC(C)C1CCCC2=C1N=CC=C2

DOS

IR

Vibrations