Geometry & MOs

Info

ID:	379259
PubChem CID:	134356944
Reduced:	FNO2C26H28 (1)
Stoich.:	ABC2D26E28 (1)
Weight, g/mol:	347.236148
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	5.05
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl-(11,11,12,12-tetramethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,6,8,13,15-hexaen-8-yl)diazene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C2CC=C2O/C(=C\C(C)OC)/C)C3=NC=CC(=C3C=C)C=C

DOS

IR

Vibrations