Geometry & MOs

Info

ID:	398279
PubChem CID:	135032656
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	5.76
IP(EA), eV:	-9.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl] benzoate

Drug info:

PubChemData

Smile

C/C(=C\CCCCC#N)/COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations