Geometry & MOs

Info

ID:	328477
PubChem CID:	126723192
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	427.179044
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	1.47
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methyl-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrazolo[3,4-b]pyridin-3-yl]spiro[5H-pyrrolo[2,3-e][1,2,4]triazine-7,1'-cyclopropane]-6-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@@]2(CCN1)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations