Geometry & MOs

Info

ID:	140800
PubChem CID:	52764038
Reduced:	N2O2F4C19H21 (1)
Stoich.:	A2B2C4D19E21 (1)
Weight, g/mol:	384.146091
ΔH_f, kcal/mol:	-225.5
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.876760
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)F)C(F)(F)F)C2=CC(=CC=C2)OC

DOS

IR

Vibrations