Geometry & MOs

Info

ID:	147543
PubChem CID:	53787199
Reduced:	N3O5H15C19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	29.27
Dipole, Da:	9.14
IP(EA), eV:	-9.2(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methoxymethyl)-5-methylsulfanylpyrimidin-4-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations