Geometry & MOs

Info

ID:	230729
PubChem CID:	87571761
Reduced:	BrN5C19H20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	380.132332
ΔH_f, kcal/mol:	94.31
Dipole, Da:	2.31
IP(EA), eV:	-8.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

DOS

IR

Vibrations