Geometry & MOs

Info

ID:	85778
PubChem CID:	49879058
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	444.198383
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	4.15
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC(C)N2C=CC(=N2)C)Cl

DOS

IR

Vibrations