Geometry & MOs

Info

ID:	398294
PubChem CID:	135032679
Reduced:	NBr2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	542.324763
ΔH_f, kcal/mol:	80.76
Dipole, Da:	1.51
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]-12-phenylmethoxydodeca-5,9-diyn-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations