Geometry & MOs

Info

ID:

186939

PubChem CID:

77507125

Reduced:

F2N2O3H13C14 (2)

Stoich.:

A2B2C3D13E14 (2)

Weight, g/mol:

476.185983

ΔHf, kcal/mol:

-328.83

Dipole, Da:

14.07

IP(EA), eV:

 -8.96(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-fluoro-3-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]phenyl]methyl]-5-methyl-4-methylidenepyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(N=NC(=O)C1=C)CC2=CC(=C(C=C2)F)C(=O)N3CCN(C(=O)C3)CC4=CC=C(C=C4)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations