Geometry & MOs

Info

ID:	422810
PubChem CID:	135118453
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	409.122496
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	3.92
IP(EA), eV:	-9.29(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CCC(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations