Geometry & MOs

Info

ID:	210957
PubChem CID:	80876632
Reduced:	ClO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	4.4
Dipole, Da:	3.99
IP(EA), eV:	-9.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-propoxyethoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=NC=NC(=C2[N+](=O)[O-])N)Cl

DOS

IR

Vibrations