Geometry & MOs

Info

ID:	391703
PubChem CID:	135008687
Reduced:	NOSiC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	351.092972
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	3.51
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,2-dimethoxyethyl)-3-nitro-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations