Geometry & MOs

Info

ID:	268453
PubChem CID:	103599438
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	6.64
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations