Geometry & MOs

Info

ID:	220353
PubChem CID:	85177326
Reduced:	NO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-252.3
Dipole, Da:	1.57
IP(EA), eV:	-9.87(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,9-dimethyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC(C)C)O)O)NC(=O)C

DOS

IR

Vibrations