Geometry & MOs

Info

ID:	330849
PubChem CID:	127248256
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	2.78
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[2-(dimethylamino)pyridin-3-yl]methyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations