Geometry & MOs

Info

ID:	184483
PubChem CID:	77167432
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	452.197217
ΔH_f, kcal/mol:	-61.86
Dipole, Da:	7.46
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-4-(pyridin-2-ylmethylamino)-3H-pyridin-3-yl] N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=O)NC2=O)C3=CN4CCCC5=C4C3=CC=C5

DOS

IR

Vibrations