Geometry & MOs

Info

ID:	442576
PubChem CID:	135253080
Reduced:	ClON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	417.16079
ΔH_f, kcal/mol:	63.77
Dipole, Da:	1.9
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=CN=CC=C4)C

DOS

IR

Vibrations