Geometry & MOs

Info

ID:	447990
PubChem CID:	135287397
Reduced:	FON7H30C32 (1)
Stoich.:	ABC7D30E32 (1)
Weight, g/mol:	384.181093
ΔH_f, kcal/mol:	106.54
Dipole, Da:	4.14
IP(EA), eV:	-8.84(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(4-piperidin-1-ylpyrrolo[2,3-c]pyridin-2-ylidene)-5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CNCC7CCCC7)/C=C23)F

DOS

IR

Vibrations