Geometry & MOs

Info

ID:	315331
PubChem CID:	126625637
Reduced:	N3H31C44 (1)
Stoich.:	A3B31C44 (1)
Weight, g/mol:	253.98038
ΔH_f, kcal/mol:	195.73
Dipole, Da:	3.41
IP(EA), eV:	-7.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopentyl) carboniodidate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC8=CC=CC=C8C=C7)C9=CC=CC=N9)C=C3

DOS

IR

Vibrations