Geometry & MOs

Info

ID:	46263
PubChem CID:	10523586
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	376.203845
ΔH_f, kcal/mol:	-239.3
Dipole, Da:	5.03
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[3-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C(CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)O)O)C

DOS

IR

Vibrations