Geometry & MOs

Info

ID:	391607
PubChem CID:	135007150
Reduced:	NSSiO2C34H45 (1)
Stoich.:	ABCD2E34F45 (1)
Weight, g/mol:	165.024835
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	1.61
IP(EA), eV:	-8.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-methoxythiophen-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC\1CN([C@@H](/C1=C\C2=CC=CC=C2)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)[S@](=O)C(C)(C)C

DOS

IR

Vibrations