Geometry & MOs

Info

ID:	360190
PubChem CID:	127300833
Reduced:	FO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	4.12
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCN(CC2)C(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations