Geometry & MOs

Info

ID:	82246
PubChem CID:	49855803
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	3.21
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(2-oxo-2-phenylacetyl)pyridin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations