Geometry & MOs

Info

ID:	14400
PubChem CID:	410786
Reduced:	NF3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	218.115659
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	7.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997825
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations