Geometry & MOs

Info

ID:	71219
PubChem CID:	48414471
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	82.79
Dipole, Da:	2.98
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations