Geometry & MOs

Info

ID:	210841
PubChem CID:	80860720
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	270.132805
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	2.79
IP(EA), eV:	-8.72(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-butoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)OCC(C)C)C

DOS

IR

Vibrations