Geometry & MOs

Info

ID:	78194
PubChem CID:	49681786
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-134.4
Dipole, Da:	0.83
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-N'-(4-fluorophenyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations