Geometry & MOs

Info

ID:	361922
PubChem CID:	127304918
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	391.180839
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	5.35
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CCC(CC3)C4=CNC5=C4C=CC(=C5)F

DOS

IR

Vibrations