Geometry & MOs

Info

ID:	329440
PubChem CID:	126736740
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	475.164967
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	4.77
IP(EA), eV:	-9.02(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-fluoro-N-[[8-[3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C2CCC1CC(C2)CN

DOS

IR

Vibrations