Geometry & MOs

Info

ID:	79692
PubChem CID:	49830000
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	401.232794
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	2.4
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

9-cyclohex-3-en-1-yl-4-(pyridin-2-ylmethyl)-2,6,8,17-tetraza-4,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),6,11,13,15-pentaene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)C(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations