Geometry & MOs

Info

ID:	208858
PubChem CID:	80595657
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	0.82
IP(EA), eV:	-8.69(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)NC(=O)C2CCCCS2

DOS

IR

Vibrations