Geometry & MOs

Info

ID:	242882
PubChem CID:	99213585
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	431.00362
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	6.81
IP(EA), eV:	-8.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(4-bromo-2-chlorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=N2)CNC(=O)/C=C\C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations