Geometry & MOs

Info

ID:	445023
PubChem CID:	135264280
Reduced:	N3O5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	3.52
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-(4-heptoxyphenyl)pyridazin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(C4=CC=C(C=C4)C(C)(C)C)O)OC

DOS

IR

Vibrations