Geometry & MOs

Info

ID:	403639
PubChem CID:	135061087
Reduced:	NH23C24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	384.24719
ΔH_f, kcal/mol:	54.44
Dipole, Da:	2.94
IP(EA), eV:	-8.18(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-1-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC3=CC=CC=C3N2C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations