Geometry & MOs

Info

ID:	332826
PubChem CID:	127251250
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	35.74
Dipole, Da:	2.93
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=N5

DOS

IR

Vibrations