Geometry & MOs

Info

ID:	424003
PubChem CID:	135121024
Reduced:	FO5N6H21C23 (1)
Stoich.:	AB5C6D21E23 (1)
Weight, g/mol:	474.0455
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	3.66
IP(EA), eV:	-9.23(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[6-oxo-1-[(5-oxo-4aH-pyrido[2,3-d]pyridazin-8-yl)methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC4=NN=C(C=C4)C(=O)O

DOS

IR

Vibrations