Geometry & MOs

Info

ID:	82408
PubChem CID:	49855995
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	6.64
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(2-oxo-2-phenylacetyl)pyridin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=N1)C(=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations