Geometry & MOs

Info

ID:	448772
PubChem CID:	135293511
Reduced:	N9C21H23 (1)
Stoich.:	A9B21C23 (1)
Weight, g/mol:	415.248444
ΔH_f, kcal/mol:	170.54
Dipole, Da:	4.28
IP(EA), eV:	-8.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[6-[6-(5-propan-2-ylpyridin-3-yl)-2,3-dihydropyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]piperidin-3-amine

Drug info:

PubChemData

Smile

C1CNCCN(C1)C2=CC=CC(=N2)N3C4=CC(=NC=C4C=N3)/C(=C/N)/C=NCC#N

DOS

IR

Vibrations