Geometry & MOs

Info

ID:	442615
PubChem CID:	135253401
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	240.03017
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	2.71
IP(EA), eV:	-8.61(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-3-(hydroxymethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl] formate

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)OC=O)C

DOS

IR

Vibrations