Geometry & MOs

Info

ID:	82531
PubChem CID:	49856146
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	461.275291
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	3.78
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(3-fluorophenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-N,N-bis(trimethylsilyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations