Geometry & MOs

Info

ID:	166109
PubChem CID:	74639200
Reduced:	ClOSN5H18C22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	399.149538
ΔH_f, kcal/mol:	128.22
Dipole, Da:	5.26
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-fluorophenyl)-9-phenyl-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=CS5)N=C6N2NNN6

DOS

IR

Vibrations