Geometry & MOs

Info

ID:	190789
PubChem CID:	78057034
Reduced:	ClON8C23H23 (1)
Stoich.:	ABC8D23E23 (1)
Weight, g/mol:	451.21951
ΔH_f, kcal/mol:	110.24
Dipole, Da:	2.55
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]tridecane-10,12-dione

Drug info:

PubChemData

Smile

CN(C)CC=CC(=O)N(C)C1=CC=CC(=N1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations