Geometry & MOs

Info

ID:	262024
PubChem CID:	103266666
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	8.18
IP(EA), eV:	-9.72(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylsulfanylbutylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(C)(C)NCC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O)O

DOS

IR

Vibrations