Geometry & MOs

Info

ID:	202423
PubChem CID:	79671129
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	7.23
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)NC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations