Geometry & MOs

Info

ID:	78216
PubChem CID:	49681815
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	0.99
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations