Geometry & MOs

Info

ID:	269815
PubChem CID:	103619174
Reduced:	SN3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	301.036184
ΔH_f, kcal/mol:	74.69
Dipole, Da:	6.14
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations