Geometry & MOs

Info

ID:	56396
PubChem CID:	17425315
Reduced:	NO3C7H7 (2)
Stoich.:	AB3C7D7 (2)
Weight, g/mol:	319.116821
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	1.25
IP(EA), eV:	-8.19(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-ethoxy-3-methoxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations