Geometry & MOs

Info

ID:	363980
PubChem CID:	127313649
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	3.93
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations