Geometry & MOs

Info

ID:	347737
PubChem CID:	127272799
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-38.9
Dipole, Da:	9.72
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC3=C(C=C(C=N3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations