Geometry & MOs

Info

ID:	397888
PubChem CID:	135030913
Reduced:	SiO3C29H40 (1)
Stoich.:	AB3C29D40 (1)
Weight, g/mol:	348.20893
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	3.45
IP(EA), eV:	-8.88(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexyl-1-phenylmethoxybut-2-ynoxy)methylbenzene

Drug info:

PubChemData

Smile

CCCCCC#C[C@@H]([C@@H](/C=C/CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O)O

DOS

IR

Vibrations