Geometry & MOs

Info

ID:	82927
PubChem CID:	49856821
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	430.17871
ΔH_f, kcal/mol:	55.48
Dipole, Da:	2.5
IP(EA), eV:	-8.88(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(2-hydroxyethyl)amino]thiophen-2-yl]-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NC(=NC=C2)N)CC3=CC=CC=C3

DOS

IR

Vibrations