Geometry & MOs

Info

ID:	215913
PubChem CID:	85085434
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-127.85
Dipole, Da:	7.12
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diazo-4-(3,4-dimethyl-1,2-oxazol-5-yl)butan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C=C1CCCCN1

DOS

IR

Vibrations