Geometry & MOs

Info

ID:	83020
PubChem CID:	49857019
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	327.151767
ΔH_f, kcal/mol:	33.38
Dipole, Da:	3.35
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-3-yl-N-[(2-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)CC4=CC=CS4

DOS

IR

Vibrations