Geometry & MOs

Info

ID:	380812
PubChem CID:	134971377
Reduced:	ClN2O5H9C12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	322.080101
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	4.15
IP(EA), eV:	-10.38(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4,5-dimethoxy-2-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations