Geometry & MOs

Info

ID:	210980
PubChem CID:	80880468
Reduced:	N5O5C11H11 (1)
Stoich.:	A5B5C11D11 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	3.94
IP(EA), eV:	-9.66(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[N+](=O)[O-])OC2=NC(=NC(=N2)OC)N

DOS

IR

Vibrations