Geometry & MOs

Info

ID:	332828
PubChem CID:	127251252
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	5.1
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations