Geometry & MOs

Info

ID:	28010
PubChem CID:	824826
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	1.82
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-phenylpent-3-yn-2-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

C[C@@H](/C(=C/C1=CC=CC=C1)/C)OC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations