Geometry & MOs

Info

ID:	170736
PubChem CID:	75272297
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	439.174336
ΔH_f, kcal/mol:	-145.98
Dipole, Da:	5.03
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(=O)NCC2CCN(CC2)C(=O)C=CC3=CC=CO3

DOS

IR

Vibrations