Geometry & MOs

Info

ID:	429835
PubChem CID:	135169888
Reduced:	ClF3N9H17C21 (1)
Stoich.:	AB3C9D17E21 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	52.39
Dipole, Da:	5.17
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-4-azatricyclo[5.2.0.01,4]nonane

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1NC(=C)/C(=C/N)/C(=NC2=CC=CN3C2=CC=N3)C(F)(F)F)Cl)N4N=CC=N4

DOS

IR

Vibrations