Geometry & MOs

Info

ID:	321316
PubChem CID:	126665786
Reduced:	OF3N5H30C33 (1)
Stoich.:	AB3C5D30E33 (1)
Weight, g/mol:	346.169271
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	4.25
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations