Geometry & MOs

Info

ID:	149330
PubChem CID:	53789002
Reduced:	SiO2C14H31 (1)
Stoich.:	AB2C14D31 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-175.8
Dipole, Da:	1.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758336
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenoxyethyl)-3-pyrazin-2-yl-3H-pyrazol-1-yl] formate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C)[Si](OC)OC

DOS

IR

Vibrations