Geometry & MOs

Info

ID:	330862
PubChem CID:	127248269
Reduced:	O2S2N4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	2.37
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations