Geometry & MOs

Info

ID:	78220
PubChem CID:	49681822
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-140.08
Dipole, Da:	2.29
IP(EA), eV:	-8.61(-0.41)
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-nitrophenyl)oxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations