Geometry & MOs

Info

ID:	286846
PubChem CID:	104223182
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	292.097168
ΔH_f, kcal/mol:	27.09
Dipole, Da:	7.42
IP(EA), eV:	-9.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-fluoro-4-nitrophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC2=NC=C(C=N2)CN)[N+](=O)[O-]

DOS

IR

Vibrations