Geometry & MOs

Info

ID:	447846
PubChem CID:	135286325
Reduced:	OSN7H25C32 (1)
Stoich.:	ABC7D25E32 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	199.6
Dipole, Da:	11.35
IP(EA), eV:	-8.61(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations