Geometry & MOs

Info

ID:	309003
PubChem CID:	126534067
Reduced:	ON2F3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	516.243773
ΔH_f, kcal/mol:	-202.03
Dipole, Da:	7.51
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3Z)-3-[4-(3-fluorophenyl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CC(=O)CCC1CCN2CC3CCN(C3C2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations