Geometry & MOs

Info

ID:	79777
PubChem CID:	49830324
Reduced:	ClON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	362.129824
ΔH_f, kcal/mol:	7.35
Dipole, Da:	3.12
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(2,3-dimethylphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC(=CC(=C1)C2=CNC3=C2C=CC=N3)Cl)O

DOS

IR

Vibrations