Geometry & MOs

Info

ID:	271338
PubChem CID:	103654953
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	4.09
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CNC2(CCOCC2)CO

DOS

IR

Vibrations