Geometry & MOs

Info

ID:	164304
PubChem CID:	74382796
Reduced:	ClON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	320.113648
ΔH_f, kcal/mol:	11.42
Dipole, Da:	2.44
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(trifluoromethyl)-5,7-diazapentacyclo[13.2.1.01,12.03,11.04,8]octadeca-3(11),4(8),5,9,12-pentaen-14-ol

Drug info:

PubChemData

Smile

COC1C2CCC3(C2)CC4=C(C3=C1Cl)C=CC5=C4C=NN5

DOS

IR

Vibrations