Geometry & MOs

Info

ID:	76024
PubChem CID:	48424313
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	383.07322
ΔH_f, kcal/mol:	-118.94
Dipole, Da:	6.02
IP(EA), eV:	-8.85(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCC(=O)NC1=CC=C(C=C1)Cl)OCC2CC2

DOS

IR

Vibrations