Geometry & MOs

Info

ID:	323865
PubChem CID:	126676375
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	349.165108
ΔH_f, kcal/mol:	97.81
Dipole, Da:	5.03
IP(EA), eV:	-8.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]-3-phenylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations