Geometry & MOs

Info

ID:	261393
PubChem CID:	103230527
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	5.23
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(prop-2-ynylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC1=C(C=CC(=C1)Cl)C

DOS

IR

Vibrations