Geometry & MOs

Info

ID:	160119
PubChem CID:	57304809
Reduced:	OSiC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	331.103142
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	4.7
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(trifluoromethyl)phenyl]methoxycarbonylimino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)CCC1)C=C[Si](C)(C)C

DOS

IR

Vibrations