Geometry & MOs

Info

ID:	20869
PubChem CID:	586227
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	8.33
IP(EA), eV:	-9.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-[4-(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CN1C2CCC1CC(=NOC(=O)NC3=CC=C(C=C3)C(F)(F)F)C2

DOS

IR

Vibrations