Geometry & MOs

Info

ID:	381349
PubChem CID:	134972059
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	6.13
IP(EA), eV:	-9.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylhept-6-en-2-ynoxymethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

CC/1(CC#CC(CCC(C/C=C1)CO)OCC2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations