Geometry & MOs

Info

ID:	204762
PubChem CID:	80004857
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	294.040734
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	5.66
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-chlorophenyl)carbamoylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=NC=NC(=C1C)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations