Geometry & MOs

Info

ID:	332803
PubChem CID:	127251227
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	34.56
Dipole, Da:	7.07
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations