Geometry & MOs

Info

ID:	360237
PubChem CID:	127300880
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	395.243359
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	4.12
IP(EA), eV:	-8.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CC3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations