Geometry & MOs

Info

ID:	330842
PubChem CID:	127248249
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	3.0
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO)OC

DOS

IR

Vibrations