Geometry & MOs

Info

ID:	185304
PubChem CID:	77284131
Reduced:	ClON8C23H23 (1)
Stoich.:	ABC8D23E23 (1)
Weight, g/mol:	434.177899
ΔH_f, kcal/mol:	101.99
Dipole, Da:	4.2
IP(EA), eV:	-9.35(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[2-(2,4-difluorophenyl)imidazol-1-yl]-7-ethyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

Drug info:

PubChemData

Smile

CCC1C2=NN=C(N2C3=CN=C(N=C3N1C4CCOC4)N5C=CN=C5C6=CC(=CC=C6)Cl)C

DOS

IR

Vibrations