Geometry & MOs

Info

ID:	444743
PubChem CID:	135263409
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	262.136908
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	2.44
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C(=C\C1=CC=CC=C1)/C(C)CC(C)(C)C)/C

DOS

IR

Vibrations