Geometry & MOs

Info

ID:	58702
PubChem CID:	24714743
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-21.8
Dipole, Da:	1.78
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1NCC2=C(ON=C2C3=CC=CC=C3F)N4CCOCC4

DOS

IR

Vibrations