Geometry & MOs

Info

ID:	403923
PubChem CID:	135062541
Reduced:	FIN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	356.140389
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	5.54
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(dimethylamino)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)I

DOS

IR

Vibrations