Geometry & MOs

Info

ID:	416546
PubChem CID:	135089620
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	3.35
IP(EA), eV:	-9.06(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCC2CCCCC2

DOS

IR

Vibrations