Geometry & MOs

Info

ID:	332876
PubChem CID:	127251300
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.67
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NC5CCOCC5

DOS

IR

Vibrations