Geometry & MOs

Info

ID:	337632
PubChem CID:	127258255
Reduced:	BClN2C14H30 (1)
Stoich.:	ABC2D14E30 (1)
Weight, g/mol:	446.19527
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	1.84
IP(EA), eV:	-8.07(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[amino-(2,3,4,5,6-pentafluorophenyl)boranyl]-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)aniline

Drug info:

PubChemData

Smile

B(/C=C(/CCCC)\Cl)(N(CC)CC)N(CC)CC

DOS

IR

Vibrations