Geometry & MOs

Info

ID:	168877
PubChem CID:	75032901
Reduced:	O5C13H19 (2)
Stoich.:	A5B13C19 (2)
Weight, g/mol:	316.113316
ΔH_f, kcal/mol:	-396.88
Dipole, Da:	5.09
IP(EA), eV:	-9.76(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-hydroxy-2-[5-(2-phenylethenyl)thiophen-2-yl]acetate

Drug info:

PubChemData

Smile

CC1CCC2(C(C1(C)CCC3=CC(=O)OC3)CC(C=C2C(=O)OC4C(C(C(C(O4)CO)O)O)O)O)C

DOS

IR

Vibrations