Geometry & MOs

Info

ID:	45987
PubChem CID:	10520057
Reduced:	ClON4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	325.184924
ΔH_f, kcal/mol:	51.5
Dipole, Da:	6.63
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S,6S)-4,6-diphenyl-1,3,2-dioxaborinan-2-yl]oxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations