Geometry & MOs

Info

ID:	155607
PubChem CID:	56366255
Reduced:	BrN2O2C21H29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	1.11
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2(CCCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations