Geometry & MOs

Info

ID:	21763
PubChem CID:	589805
Reduced:	NO3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	1.64
IP(EA), eV:	-9.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-isocyanatobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N=C=O

DOS

IR

Vibrations