Geometry & MOs

Info

ID:	262398
PubChem CID:	103290899
Reduced:	NSCl2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	13.01
Dipole, Da:	3.9
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1Cl)SCC2=CC=CC=C2Cl)N

DOS

IR

Vibrations