Geometry & MOs

Info

ID:	332870
PubChem CID:	127251294
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	7.84
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCOCC2)C(=O)N3CCC(C3)C4=NC5=C(C=C4)C(=NN5)NC(C)C

DOS

IR

Vibrations