Geometry & MOs

Info

ID:	409743
PubChem CID:	135082528
Reduced:	NOCl2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	205.127409
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	4.65
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S)-4-methyl-1,3-dioxa-2-boraspiro[4.4]nonan-2-yl]methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CCN(CC1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations