Geometry & MOs

Info

ID:	78211
PubChem CID:	49681808
Reduced:	ClN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	2.91
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chlorophenyl)-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)Cl

DOS

IR

Vibrations