Geometry & MOs

Info

ID:	204746
PubChem CID:	80003207
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	4.27
IP(EA), eV:	-10.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[3-oxo-3-(propylamino)propyl]carbamoylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations