Geometry & MOs

Info

ID:	332874
PubChem CID:	127251298
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	50.27
Dipole, Da:	5.79
IP(EA), eV:	-8.61(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-3-yl]-N-propan-2-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5)C

DOS

IR

Vibrations