Geometry & MOs

Info

ID:	138470
PubChem CID:	52370577
Reduced:	O2F3N3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	385.197712
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809783
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropan-2-yl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations