Geometry & MOs

Info

ID:	333676
PubChem CID:	127252228
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	2.17
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(2-phenylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations