Geometry & MOs

Info

ID:	378365
PubChem CID:	134224444
Reduced:	NH3C5 (2)
Stoich.:	AB3C5 (2)
Weight, g/mol:	552.23727
ΔH_f, kcal/mol:	185.47
Dipole, Da:	1.93
IP(EA), eV:	-9.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[[[2-methoxy-5-[(4-phenylphenyl)carbamoyl]benzoyl]amino]methyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC#CN=C2

DOS

IR

Vibrations