Geometry & MOs

Info

ID:	324180
PubChem CID:	126677083
Reduced:	N9C21H25 (1)
Stoich.:	A9B21C25 (1)
Weight, g/mol:	401.207642
ΔH_f, kcal/mol:	152.76
Dipole, Da:	4.34
IP(EA), eV:	-8.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1[C@H]2CN[C@@H]1CN2C3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC6=C5NNN6)N

DOS

IR

Vibrations