Geometry & MOs

Info

ID:	255896
PubChem CID:	103135473
Reduced:	N3C18H29 (1)
Stoich.:	A3B18C29 (1)
Weight, g/mol:	280.111087
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	4.39
IP(EA), eV:	-9.16(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)CC(C4=NN(C=C4)C)N)C

DOS

IR

Vibrations