Geometry & MOs

Info

ID:	164530
PubChem CID:	74412881
Reduced:	O23C59H88 (1)
Stoich.:	A23B59C88 (1)
Weight, g/mol:	331.12154
ΔH_f, kcal/mol:	-1021.22
Dipole, Da:	10.6
IP(EA), eV:	-9.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl-[3,3,3-trifluoro-1-(4-nitrophenyl)prop-1-en-2-yl]silane

Drug info:

Smile

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC45C3CC(C67C4(CCC6(C(C)OC(=O)C=CC8=CC=CC=C8)O)OC(O5)(OC7)C)O)C)OC)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)C)OC1C(C(C(C(O1)CO)O)O)O)OC)O)OC

DOS

IR

Vibrations