Geometry & MOs

Info

ID:	190544
PubChem CID:	78019249
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	538.368966
ΔH_f, kcal/mol:	39.72
Dipole, Da:	2.1
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4-tributoxy-7-[hydroxy(dimethyl)silyl]-7-methyloctyl] benzoate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NC2CCC3CC4C2CC(C3)(C4)O)N5C=CC=N5

DOS

IR

Vibrations