Geometry & MOs

Info

ID:	311757
PubChem CID:	126597643
Reduced:	ClO2N7C21H22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	529.224909
ΔH_f, kcal/mol:	22.87
Dipole, Da:	2.46
IP(EA), eV:	-8.67(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(difluoromethoxy)-1-[(4-methylmorpholin-2-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NC5CCC(CC5)N

DOS

IR

Vibrations