Geometry & MOs

Info

ID:	335804
PubChem CID:	127254666
Reduced:	BrN3O5H22C33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	78.68
Dipole, Da:	4.84
IP(EA), eV:	-8.75(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@H]([C@@]34C5=CC=CC=C5NC4=O)C(=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations