Geometry & MOs

Info

ID:	206442
PubChem CID:	80250561
Reduced:	SN2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	2.28
IP(EA), eV:	-8.48(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(4-methylthiophen-3-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1CCN(C(C1)C)CC2=C(C=CS2)CC

DOS

IR

Vibrations