Geometry & MOs

Info

ID:	70206
PubChem CID:	47211679
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	6.43
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC

DOS

IR

Vibrations