Geometry & MOs

Info

ID:	78198
PubChem CID:	49681790
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-141.89
Dipole, Da:	1.89
IP(EA), eV:	-8.52(-0.02)
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'-[(4-methylphenyl)methyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNC(=O)C(=O)NC3CCCCCC3

DOS

IR

Vibrations