Geometry & MOs

Info

ID:	286861
PubChem CID:	104223292
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	14.98
Dipole, Da:	7.2
IP(EA), eV:	-9.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations