Geometry & MOs

Info

ID:	380106
PubChem CID:	134965021
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	276.082016
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	6.83
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(3-methoxyphenyl)thiophen-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1C)O)CCN2C=CN=C2C)O

DOS

IR

Vibrations