Geometry & MOs

Info

ID:	65893
PubChem CID:	46386993
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	18.56
Dipole, Da:	7.03
IP(EA), eV:	-8.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-4-(6-phenoxypyridazin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations