Geometry & MOs

Info

ID:	286879
PubChem CID:	104223350
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	29.0
Dipole, Da:	5.22
IP(EA), eV:	-9.62(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(methoxymethyl)phenoxy]pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations