Geometry & MOs

Info

ID:	77374
PubChem CID:	48427116
Reduced:	F3O3N5C17H20 (1)
Stoich.:	A3B3C5D17E20 (1)
Weight, g/mol:	316.176248
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	11.57
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)C(F)(F)F)C(=O)CN2C=C(C=N2)[N+](=O)[O-]

DOS

IR

Vibrations