Geometry & MOs

Info

ID:	448769
PubChem CID:	135293487
Reduced:	N9C23H25 (1)
Stoich.:	A9B23C25 (1)
Weight, g/mol:	416.207307
ΔH_f, kcal/mol:	157.69
Dipole, Da:	6.88
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]piperidin-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CN=C2)C3=NC=C4C=NN(C4=C3)C5=NC(=CC=C5)N6CCNCC6

DOS

IR

Vibrations