Geometry & MOs

Info

ID:	204747
PubChem CID:	80003208
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-196.13
Dipole, Da:	9.82
IP(EA), eV:	-9.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CCNC(=O)NCC1=CC=C(O1)C(=O)O

DOS

IR

Vibrations