Geometry & MOs

Info

ID:	78199
PubChem CID:	49681792
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	2.05
IP(EA), eV:	-8.6(-0.11)
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'-(3,5-dimethylphenyl)oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations