Geometry & MOs

Info

ID:	131012
PubChem CID:	51144871
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-119.13
Dipole, Da:	4.74
IP(EA), eV:	-9.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2CCCO2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations