Geometry & MOs

Info

ID:	261516
PubChem CID:	103237600
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	3.37
IP(EA), eV:	-8.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methylpentan-2-ylamino)ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations