Geometry & MOs

Info

ID:	261977
PubChem CID:	103263715
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	7.61
IP(EA), eV:	-9.99(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(C)O)NCC(=C)C(=O)O

DOS

IR

Vibrations