Geometry & MOs

Info

ID:	244973
PubChem CID:	99431915
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	477.201219
ΔH_f, kcal/mol:	-14.55
Dipole, Da:	5.94
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[2-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxyacetyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC(=CC=C3)NC(=O)CCN4C=CNC(=O)C4=O

DOS

IR

Vibrations