Geometry & MOs

Info

ID:	220827
PubChem CID:	85240139
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-132.54
Dipole, Da:	5.76
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3-dimethylbutan-2-yl)-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C2C3C(COCO3)(C=C2C(=O)C(C14CC4)(C)O)C

DOS

IR

Vibrations