Geometry & MOs

Info

ID:	268449
PubChem CID:	103599424
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	4.97
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations