Geometry & MOs

Info

ID:	245533
PubChem CID:	99453688
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	454.054334
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	3.01
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl 1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC)N(C)C(=O)C2=NOC(=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations