Geometry & MOs

Info

ID:	207569
PubChem CID:	80418270
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	4.18
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-prop-2-ynoylmorpholin-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1CCC2(C1)CNC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations