Geometry & MOs

Info

ID:	369661
PubChem CID:	127334991
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	66.46
Dipole, Da:	6.26
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=CC=C3N4C=CC=N4)O

DOS

IR

Vibrations