Geometry & MOs

Info

ID:	78209
PubChem CID:	49681804
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-130.26
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-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=CC=C3OC

DOS

IR

Vibrations