Geometry & MOs

Info

ID:	145712
PubChem CID:	53580900
Reduced:	ClN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	5.67
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-phenoxypyridin-3-yl)methylcarbamoylamino]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CNC2=C(C=CC(=C2)CO)Cl

DOS

IR

Vibrations