Geometry & MOs

Info

ID:	209742
PubChem CID:	80711576
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	269.038961
ΔH_f, kcal/mol:	5.36
Dipole, Da:	5.46
IP(EA), eV:	-9.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[N+](=O)[O-])NCCC2=CN=CC=C2

DOS

IR

Vibrations