Geometry & MOs

Info

ID:	78202
PubChem CID:	49681796
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	0.66
IP(EA), eV:	-8.52(-0.18)
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'-(2,3-dimethylphenyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations