Geometry & MOs

Info

ID:	227986
PubChem CID:	87563174
Reduced:	O2N5H15C19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	270.088353
ΔH_f, kcal/mol:	106.07
Dipole, Da:	3.5
IP(EA), eV:	-9.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CNC1=NC(=CC(=N1)C(=O)NO)C2=CC=C(C=C2)C#CC3=CN=CC=C3

DOS

IR

Vibrations