Geometry & MOs

Info

ID:	188267
PubChem CID:	77691581
Reduced:	ClN2O4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	406.073865
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	5.36
IP(EA), eV:	-9.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2,4-dichloro-5-(cyclopropylmethoxy)phenoxy]methyl]phenyl]but-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1NCC(C3=CC(=CC=C3)Cl)O)C=C(C=C2)OC4=C(C=CC=N4)C=CC(=O)O

DOS

IR

Vibrations