Geometry & MOs

Info

ID:	132712
PubChem CID:	51405811
Reduced:	O2F3N4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	3.06
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(3-methoxycyclohexyl)-9-methyl-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(NC(=O)C[C@H]2C3CCCCC3C(F)(F)F)N4C1=NC5=CC=CC=C54

DOS

IR

Vibrations