Geometry & MOs

Info

ID:	162570
PubChem CID:	57395100
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	33.73
Dipole, Da:	6.71
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CNC3=C2C=CC(=N3)C4=CNN=C4

DOS

IR

Vibrations