Geometry & MOs

Info

ID:	20019
PubChem CID:	577001
Reduced:	N2O4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	1.18
Dipole, Da:	7.55
IP(EA), eV:	-9.65(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O2

DOS

IR

Vibrations