Geometry & MOs

Info

ID:	448775
PubChem CID:	135293523
Reduced:	ON8C20H22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	389.171256
ΔH_f, kcal/mol:	100.36
Dipole, Da:	2.3
IP(EA), eV:	-8.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]-1,4-diazepane-1-carbaldehyde

Drug info:

PubChemData

Smile

CN1C=C(N=C(C1=O)N2CCCCC2)N3C4=CC(=NC=C4C=N3)C5=CN(N=C5)C

DOS

IR

Vibrations