Geometry & MOs

Info

ID:	65861
PubChem CID:	46386951
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	8.6
IP(EA), eV:	-8.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-4-[6-(3-methoxyphenoxy)pyridazin-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)OC

DOS

IR

Vibrations