Geometry & MOs

Info

ID:	155721
PubChem CID:	56367154
Reduced:	BrN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	392.150285
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	5.97
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations