Geometry & MOs

Info

ID:	249645
PubChem CID:	103091104
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	2.02
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(2-methyl-1-benzofuran-3-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CNC2=C1C=CC=N2)/C)O

DOS

IR

Vibrations