Geometry & MOs

Info

ID:	162583
PubChem CID:	57395144
Reduced:	N2O3H24C28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	479.132444
ΔH_f, kcal/mol:	6.34
Dipole, Da:	4.16
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations