Geometry & MOs

Info

ID:	261477
PubChem CID:	103235501
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	7.47
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(2-thiophen-2-ylethylamino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCC1NCC2=CC(=C(O2)C(=O)O)C

DOS

IR

Vibrations