Geometry & MOs

Info

ID:	284466
PubChem CID:	104048051
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	5.81
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methyl-4-(2-methyl-4-nitrophenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OCCCCCS

DOS

IR

Vibrations