Geometry & MOs

Info

ID:	56055
PubChem CID:	17404052
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	90.35
Dipole, Da:	3.07
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-5-methylfuran-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4

DOS

IR

Vibrations