Geometry & MOs

Info

ID:	286839
PubChem CID:	104223148
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	25.24
Dipole, Da:	8.97
IP(EA), eV:	-9.68(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(3-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations