Geometry & MOs

Info

ID:	282375
PubChem CID:	103923731
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	3.07
IP(EA), eV:	-8.64(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNCC2(CCCCC2)C)O

DOS

IR

Vibrations