Geometry & MOs

Info

ID:	382951
PubChem CID:	134974399
Reduced:	SiN2O3C41H57 (1)
Stoich.:	AB2C3D41E57 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.912173
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R)-3-methoxy-2,4-dimethylhept-5-yn-1-ol

Drug info:

PubChemData

Smile

CCCCC1=CC2=[N+]3C(CCC34CCCCC4C([C@@H]2C(=O)O1)N5CCCCC5)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

DOS

IR

Vibrations