Geometry & MOs

Info

ID:	325927
PubChem CID:	126685623
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-111.51
Dipole, Da:	6.61
IP(EA), eV:	-8.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4Z)-hepta-2,4,6-trien-3-yl] phenyl carbonate

Drug info:

PubChemData

Smile

CN1C(C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(=N3)C4=CC(=C(C=C4)OC)OC)O

DOS

IR

Vibrations