Geometry & MOs

Info

ID:	448313
PubChem CID:	135290066
Reduced:	N3O6C28H29 (1)
Stoich.:	A3B6C28D29 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methoxy-4-(oxetan-3-ylmethoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=CC(=C2OC)OCC#C)/C=C/C(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations