Geometry & MOs

Info

ID:	349236
PubChem CID:	127274962
Reduced:	OS2N7C15H17 (1)
Stoich.:	AB2C7D15E17 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	92.29
Dipole, Da:	3.56
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=NC=NN3)CC4=CSC=N4

DOS

IR

Vibrations