Geometry & MOs

Info

ID:	261914
PubChem CID:	103258824
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	6.98
IP(EA), eV:	-9.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NCC2=CC(=C(O2)C)C(=O)O

DOS

IR

Vibrations