Geometry & MOs

Info

ID:	327390
PubChem CID:	126689778
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	251.96473
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	2.31
IP(EA), eV:	-8.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-methylcyclohexane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)N1C2C3=C(C=CC(=C3)C4=CN=C(C=C4)OCCCN)NC=C2NC1=O

DOS

IR

Vibrations