Geometry & MOs

Info

ID:	332827
PubChem CID:	127251251
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	3.63
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NC5CCOCC5

DOS

IR

Vibrations