Geometry & MOs

Info

ID:	324942
PubChem CID:	126678842
Reduced:	O2N7C22H27 (1)
Stoich.:	A2B7C22D27 (1)
Weight, g/mol:	486.02251
ΔH_f, kcal/mol:	34.27
Dipole, Da:	7.76
IP(EA), eV:	-8.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-[3-[difluoro(iodo)methyl]-1,2,4-triazol-1-yl]phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)C3=CN=C4C(=N3)OCC5=NC(=CN54)CNCCO

DOS

IR

Vibrations