Geometry & MOs

Info

ID:	78180
PubChem CID:	49681771
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-134.08
Dipole, Da:	1.27
IP(EA), eV:	-8.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-tert-butyl-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)NC(C)C

DOS

IR

Vibrations