Geometry & MOs

Info

ID:	144743
PubChem CID:	53405818
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	350.097666
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	7.53
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-phenylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)O)CN2C=CN=C2

DOS

IR

Vibrations