Geometry & MOs

Info

ID:	143124
PubChem CID:	53150079
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	6.04
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4=CSC=C4

DOS

IR

Vibrations