Geometry & MOs

Info

ID:	210182
PubChem CID:	80770971
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	8.17
IP(EA), eV:	-8.79(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-(oxolan-2-ylmethyl)-5-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])N2CCCCC2CC

DOS

IR

Vibrations