Geometry & MOs

Info

ID:	162303
PubChem CID:	57394244
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	21.85
Dipole, Da:	6.05
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CNC3=C2C=CC(=C3)C4=CNN=C4

DOS

IR

Vibrations