Geometry & MOs

Info

ID:	330820
PubChem CID:	127248227
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	3.28
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations