Geometry & MOs

Info

ID:	412507
PubChem CID:	135085402
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	332.02733
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	0.59
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-4-iodobut-3-enyl]cyclohexa-2,5-dien-1-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=CC=C2N1C)C

DOS

IR

Vibrations