Geometry & MOs

Info

ID:	282359
PubChem CID:	103923391
Reduced:	SN2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	30.96
Dipole, Da:	5.42
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NCC2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations