Geometry & MOs

Info

ID:	323650
PubChem CID:	126675656
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	118.27
Dipole, Da:	4.15
IP(EA), eV:	-8.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1OC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations