Geometry & MOs

Info

ID:	210802
PubChem CID:	80857290
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	26.6
Dipole, Da:	8.62
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)N2C=NC(=C2C)C)[N+](=O)[O-]

DOS

IR

Vibrations