Geometry & MOs

Info

ID:	308970
PubChem CID:	126533186
Reduced:	N7H19C21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	462.196823
ΔH_f, kcal/mol:	181.95
Dipole, Da:	7.13
IP(EA), eV:	-8.78(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C=CN=CC5=N4)N=C2

DOS

IR

Vibrations