Geometry & MOs

Info

ID:	229940
PubChem CID:	87569594
Reduced:	ClNSiO2C25H55 (1)
Stoich.:	ABCD2E25F55 (1)
Weight, g/mol:	454.40221
ΔH_f, kcal/mol:	-251.26
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756550
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yl-3-methylundecan-4-yl)-10-methylundecanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(C)C(C)(CCC[Si](OC)OC)Cl.N

DOS

IR

Vibrations