Geometry & MOs

Info

ID:	186651
PubChem CID:	77461870
Reduced:	N4H8C13 (1)
Stoich.:	A4B8C13 (1)
Weight, g/mol:	286.100523
ΔH_f, kcal/mol:	232.82
Dipole, Da:	7.19
IP(EA), eV:	-9.39(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC2C3=C4C(=CC=C3)N=NC4=NN=C2C=C1

DOS

IR

Vibrations