Geometry & MOs

Info

ID:	261674
PubChem CID:	103244877
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	3.76
IP(EA), eV:	-9.26(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1)NCC(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations