Geometry & MOs

Info

ID:	143654
PubChem CID:	53243648
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	432.169494
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	3.55
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,6-dimethyl-1,4,2-dioxaborepan-2-yl]oxy-trimethylsilane

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C=C(C1=O)C)N([C@@H]2C=C(C(=O)[C@H]2C)C)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations