Geometry & MOs

Info

ID:	400103
PubChem CID:	135045458
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	310.05684
ΔH_f, kcal/mol:	6.03
Dipole, Da:	3.23
IP(EA), eV:	-7.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-7-bromo-2-methylhept-2-enyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OOC1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations