Geometry & MOs

Info

ID:	242944
PubChem CID:	99214418
Reduced:	SN2O3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	436.04563
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	5.51
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-bromophenoxy)propanoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)N3CCC(CC3)NC(=O)C4=CSC=C4

DOS

IR

Vibrations