Geometry & MOs

Info

ID:	332822
PubChem CID:	127251246
Reduced:	FO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations