Geometry & MOs

Info

ID:	65895
PubChem CID:	46386995
Reduced:	O2N3H19C24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	54.63
Dipole, Da:	3.32
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-(6-phenoxypyridazin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations