Geometry & MOs

Info

ID:	341083
PubChem CID:	127263518
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-187.16
Dipole, Da:	2.48
IP(EA), eV:	-9.84(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CN(C[C@@H]1CC#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations