Geometry & MOs

Info

ID:	335897
PubChem CID:	127254759
Reduced:	OSN7C14H15 (1)
Stoich.:	ABC7D14E15 (1)
Weight, g/mol:	398.149124
ΔH_f, kcal/mol:	112.75
Dipole, Da:	1.83
IP(EA), eV:	-9.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-pyrazolo[1,5-a]pyrimidin-3-yl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2)N3C=NN=N3

DOS

IR

Vibrations