Geometry & MOs

Info

ID:	340426
PubChem CID:	127262437
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	232.055801
ΔH_f, kcal/mol:	-90.73
Dipole, Da:	1.88
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-thiophen-2-ylphenyl)methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=CC(=C2)COC(=O)C

DOS

IR

Vibrations