Geometry & MOs

Info

ID:	310072
PubChem CID:	126573744
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	339.154704
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	8.25
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline

Drug info:

PubChemData

Smile

CC(C)COC1=CC2=C(C=CN=C2C=C1C(=O)N)O[C@@H]3CCCNC3

DOS

IR

Vibrations