Geometry & MOs

Info

ID:	58837
PubChem CID:	24714933
Reduced:	ClOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	1.58
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-methoxypropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)C3(C1=O)NCCS3

DOS

IR

Vibrations