Geometry & MOs

Info

ID:	449207
PubChem CID:	135296857
Reduced:	N2O6C31H36 (1)
Stoich.:	A2B6C31D36 (1)
Weight, g/mol:	297.14887
ΔH_f, kcal/mol:	-174.52
Dipole, Da:	13.38
IP(EA), eV:	-8.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(6-carbamoyl-3-fluoropyridin-2-yl)propyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(=CC1=O)C3=CC(=C(C=C3C4N2C(CC4)(C)C)OCCCOC)OCC5=CC=CC=C5

DOS

IR

Vibrations