Geometry & MOs

Info

ID:

226892

PubChem CID:

87558835

Reduced:

NO2C10H19 (1)

Stoich.:

AB2C10D19 (1)

Weight, g/mol:

1016.320681

ΔHf, kcal/mol:

-64.7

Dipole, Da:

3.36

IP(EA), eV:

-9.5(0.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-2-(2-methoxyphenyl)-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCON(C)C(=O)C(=C)CC

DOS

IR

Vibrations