Geometry & MOs

Info

ID:	286842
PubChem CID:	104223161
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	27.68
Dipole, Da:	8.04
IP(EA), eV:	-9.57(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(3-methyl-4-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations