Geometry & MOs

Info

ID:	143652
PubChem CID:	53242702
Reduced:	ClFN2O3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	195.140614
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	8.91
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyclohexyl(methyl)azaniumyl]methyl-trifluoroboranuide

Drug info:

PubChemData

Smile

CC(C)CC1=C(N=C(C(=O)N1CC2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations