Geometry & MOs

Info

ID:	78215
PubChem CID:	49681814
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	1.5
IP(EA), eV:	-8.56(-0.2)
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-propan-2-ylphenyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C)C

DOS

IR

Vibrations