Geometry & MOs

Info

ID:	80889
PubChem CID:	49846785
Reduced:	O5C26H34 (1)
Stoich.:	A5B26C34 (1)
Weight, g/mol:	364.064647
ΔH_f, kcal/mol:	-155.46
Dipole, Da:	6.2
IP(EA), eV:	-9.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethoxy)-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C#C[C@@]1([C@H]2C[C@H]2C3[C@@]1(CCC4C3[C@H]5C[C@H]5[C@]6([C@@]4(CCC(=O)C6)C)O)C)O

DOS

IR

Vibrations