Geometry & MOs

Info

ID:	323915
PubChem CID:	126676589
Reduced:	OF2N7H15C17 (1)
Stoich.:	AB2C7D15E17 (1)
Weight, g/mol:	373.146265
ΔH_f, kcal/mol:	10.68
Dipole, Da:	4.03
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations