Geometry & MOs

Info

ID:	332804
PubChem CID:	127251228
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	5.92
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[3-[3-(propan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations