Geometry & MOs

Info

ID:	21032
PubChem CID:	586863
Reduced:	NO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-109.11
Dipole, Da:	7.16
IP(EA), eV:	-10.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations