Geometry & MOs

Info

ID:	154130
PubChem CID:	56313520
Reduced:	FO2N4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	477.19986
ΔH_f, kcal/mol:	3.79
Dipole, Da:	4.4
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CO4)CC5=CC=CC=C5F

DOS

IR

Vibrations