Geometry & MOs

Info

ID:	330837
PubChem CID:	127248244
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	3.34
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO

DOS

IR

Vibrations