Geometry & MOs

Info

ID:	427771
PubChem CID:	135162398
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	480.212118
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	1.84
IP(EA), eV:	-8.77(3.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[1-[3-(cyanomethyl)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-yl]-4-oxo-2H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)CC1(CCCN1)CC

DOS

IR

Vibrations