Geometry & MOs

Info

ID:	200978
PubChem CID:	79468368
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	2.92
IP(EA), eV:	-8.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-5-[(3-oxomorpholin-4-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1COCC(=O)N1CCC(=O)NC2=CC=CC(=C2)N

DOS

IR

Vibrations