Geometry & MOs

Info

ID:	399511
PubChem CID:	135040633
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	238.030974
ΔH_f, kcal/mol:	19.54
Dipole, Da:	2.2
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;[(Z)-2-chlorohept-1-enyl]-trifluoroboranuide

Drug info:

PubChemData

Smile

CC1(C2C=CC=CC2=NC3=C1CCCO3)O

DOS

IR

Vibrations