Geometry & MOs

Info

ID:	400593
PubChem CID:	135048435
Reduced:	ClN2O3H21C26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	338.314481
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	2.23
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tris(2-ethylcyclohex-3-en-1-yl)borane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)Cl

DOS

IR

Vibrations