Geometry & MOs

Info

ID:	308992
PubChem CID:	126533653
Reduced:	FON7C32H32 (1)
Stoich.:	ABC7D32E32 (1)
Weight, g/mol:	493.259009
ΔH_f, kcal/mol:	107.91
Dipole, Da:	2.76
IP(EA), eV:	-8.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-piperidin-1-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN(C)C)/C=C32)F

DOS

IR

Vibrations