Geometry & MOs

Info

ID:	227636
PubChem CID:	87562142
Reduced:	NaO2N3C7H16 (1)
Stoich.:	AB2C3D7E16 (1)
Weight, g/mol:	450.168576
ΔH_f, kcal/mol:	-115.8
Dipole, Da:	9.43
IP(EA), eV:	-7.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-(trifluoromethyl)phenyl]-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(3-methylphenyl)methyl]formamide

Drug info:

PubChemData

Smile

CC(=O)[O-].CNC(=NC)N(C)C.[Na+]

DOS

IR

Vibrations