Geometry & MOs

Info

ID:	321891
PubChem CID:	126667230
Reduced:	ON8C27H34 (1)
Stoich.:	AB8C27D34 (1)
Weight, g/mol:	244.051574
ΔH_f, kcal/mol:	83.78
Dipole, Da:	8.07
IP(EA), eV:	-7.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropyrimidin-4-yl)-1-methylpyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CNC1=CC(=C(C=C1N2CCC(CC2)N(C)C)OC)NC3=NC=CC(=N3)C4=CN(C5=C4N=CC=C5)C

DOS

IR

Vibrations