Geometry & MOs

Info

ID:	448787
PubChem CID:	135293612
Reduced:	FN3H10C17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	356.115237
ΔH_f, kcal/mol:	81.59
Dipole, Da:	5.56
IP(EA), eV:	-9.73(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(6-chloropyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl]-1,4-diazepane-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=CC(=N2)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations