Geometry & MOs

Info

ID:	285571
PubChem CID:	104113771
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-121.11
Dipole, Da:	8.24
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(naphthalen-2-ylamino)-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(C)NC2=NC(=CO2)C(=O)O

DOS

IR

Vibrations