Geometry & MOs

Info

ID:	342235
PubChem CID:	127265012
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	324.077789
ΔH_f, kcal/mol:	2.83
Dipole, Da:	6.04
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)SCC(=O)N(C)CC1=NN=C2N1C=CC=C2

DOS

IR

Vibrations