Geometry & MOs

Info

ID:	43088
PubChem CID:	10318405
Reduced:	BrO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	394.16522
ΔH_f, kcal/mol:	-110.15
Dipole, Da:	5.28
IP(EA), eV:	-8.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-1,3-dimethyl-2-(2-methyloctan-3-yloxy)-2-selanylidene-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1Br)O

DOS

IR

Vibrations