Geometry & MOs

Info

ID:	78219
PubChem CID:	49681820
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	2.62
IP(EA), eV:	-8.52(-0.19)
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'-(2-ethoxyphenyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations