Geometry & MOs

Info

ID:	138466
PubChem CID:	52370493
Reduced:	N2O2F6C16H21 (1)
Stoich.:	A2B2C6D16E21 (1)
Weight, g/mol:	386.142897
ΔH_f, kcal/mol:	-380.7
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797712
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(F)(F)F)C)C[NH+](C)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations