Geometry & MOs

Info

ID:	375407
PubChem CID:	131500221
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	141.042593
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	5.85
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxyethylidene)-2-methyl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)[N+](=O)[O-])COC

DOS

IR

Vibrations