Geometry & MOs

Info

ID:	137294
PubChem CID:	52184813
Reduced:	ON5C25H34 (1)
Stoich.:	AB5C25D34 (1)
Weight, g/mol:	383.134443
ΔH_f, kcal/mol:	39.96
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.030295
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C=NN2)C[NH+]3CCN([C@@H](C3)CCO)CC4=CC=CC(=N4)C

DOS

IR

Vibrations