Geometry & MOs

Info

ID:	286840
PubChem CID:	104223153
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	35.33
Dipole, Da:	6.31
IP(EA), eV:	-9.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-nitrophenoxy)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations