Geometry & MOs

Info

ID:	261833
PubChem CID:	103254076
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-128.16
Dipole, Da:	7.25
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCC(C1C)NCCOC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations