Geometry & MOs

Info

ID:	268097
PubChem CID:	103597860
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	387.165743
ΔH_f, kcal/mol:	-100.38
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations