Geometry & MOs

Info

ID:	323702
PubChem CID:	126675764
Reduced:	N7C21H33 (1)
Stoich.:	A7B21C33 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	89.54
Dipole, Da:	6.33
IP(EA), eV:	-8.22(-0.36)
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]-4-phenylbutan-1-ol

Drug info:

PubChemData

Smile

CCC/C=C\1/C(=C(/CC2=CN(N=C2)CCC3CCNCC3)\C=C(/C)\N)/N=NN1

DOS

IR

Vibrations