Geometry & MOs

Info

ID:	209797
PubChem CID:	80723814
Reduced:	ClNOSC17H22 (1)
Stoich.:	ABCDE17F22 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	1.31
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OCC2=C(SC(=C2)CN)C)C(C)C)Cl

DOS

IR

Vibrations