Geometry & MOs

Info

ID:	418882
PubChem CID:	135107050
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-119.67
Dipole, Da:	5.55
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-N-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC(=NC=C4)OC)OCC2

DOS

IR

Vibrations