Geometry & MOs

Info

ID:	350761
PubChem CID:	127279049
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	3.41
IP(EA), eV:	-8.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N3CCCC3(C)C)C

DOS

IR

Vibrations