Geometry & MOs

Info

ID:	376606
PubChem CID:	134222627
Reduced:	F2O3N8C23H26 (1)
Stoich.:	A2B3C8D23E26 (1)
Weight, g/mol:	482.219015
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	7.0
IP(EA), eV:	-9.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[[(3-aminocyclobutyl)amino]-hydroxymethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2CNCC2F)O)C(=O)CN3C4=C(C=C(C=C4)C5=CN=NC=C5)C(=N3)C(=O)N)F

DOS

IR

Vibrations