Geometry & MOs

Info

ID:	82747
PubChem CID:	49856445
Reduced:	BrO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	7.03
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)C2=C3C(=NC=C2)N=C(N3)C4=CC=C(O4)Br

DOS

IR

Vibrations