Geometry & MOs

Info

ID:	382420
PubChem CID:	134973560
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	2.53
Dipole, Da:	3.78
IP(EA), eV:	-10.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCCCC/C=C(/CC)\C#N

DOS

IR

Vibrations