Geometry & MOs

Info

ID:	19453
PubChem CID:	564215
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	1.93
IP(EA), eV:	-8.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl azepine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C=CC=CC=C1

DOS

IR

Vibrations