Geometry & MOs

Info

ID:	265178
PubChem CID:	103512884
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	1.62
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxybenzoyl isocyanate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)N=C=O

DOS

IR

Vibrations