Geometry & MOs

Info

ID:	442589
PubChem CID:	135253185
Reduced:	OCl2N6H14C18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	70.53
Dipole, Da:	7.12
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-ethyl-1-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CC4=NNN=C4

DOS

IR

Vibrations