Geometry & MOs

Info

ID:	282027
PubChem CID:	103914678
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	258.21297
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	4.22
IP(EA), eV:	-9.08(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-N-(1-methylsulfanylbutan-2-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NC(C)C2=NC=CN2C

DOS

IR

Vibrations