Geometry & MOs

Info

ID:	286843
PubChem CID:	104223164
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	22.68
Dipole, Da:	9.01
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxy-2-nitrophenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC=C(C=N2)CNC)[N+](=O)[O-]

DOS

IR

Vibrations