Geometry & MOs

Info

ID:	141214
PubChem CID:	52839230
Reduced:	FOSN2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	375.207053
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	4.96
IP(EA), eV:	-9.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C#N)NC(=O)/C=C/C1=CC=C(S1)C2=CC=CC=C2F

DOS

IR

Vibrations