Geometry & MOs

Info

ID:	330868
PubChem CID:	127248275
Reduced:	OSN5C23H23 (1)
Stoich.:	ABC5D23E23 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	69.26
Dipole, Da:	4.19
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N(C)C

DOS

IR

Vibrations