Geometry & MOs

Info

ID:

186886

PubChem CID:

77501124

Reduced:

O3F4N4H30C33 (1)

Stoich.:

A3B4C4D30E33 (1)

Weight, g/mol:

446.066094

ΔHf, kcal/mol:

-204.99

Dipole, Da:

7.94

IP(EA), eV:

 -9.74(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,5-dichloro-4-[1-(6-oxo-5-propan-2-ylidenepyridazin-3-yl)ethyl]phenyl]-3,5-dioxo-1,2,4-triazinane-6-carbonitrile

Drug info:

PubChemData

Smile

CC(CC(=O)NC(CC1=C(C=C(C=C1)C#N)F)C#N)CNC(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)C(=O)O)C(F)(F)F

DOS

IR

Vibrations