Geometry & MOs

Info

ID:	311814
PubChem CID:	126597751
Reduced:	FO4N7H18C20 (1)
Stoich.:	AB4C7D18E20 (1)
Weight, g/mol:	458.125802
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	3.92
IP(EA), eV:	-8.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C3=C(C=CC(=C3)F)C(=N2)C4=CN=C5C(=N4)C(=CN5)OC(=O)N

DOS

IR

Vibrations