Geometry & MOs

Info

ID:	289581
PubChem CID:	104359729
Reduced:	ClON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	370.07145
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	3.38
IP(EA), eV:	-8.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylsulfanylpiperidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC(CC)(CN)N(C)CC1=CC(=CC2=C1OCC2)Cl

DOS

IR

Vibrations