Geometry & MOs

Info

ID:	322428
PubChem CID:	126670115
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	241.00759
ΔH_f, kcal/mol:	67.64
Dipole, Da:	1.89
IP(EA), eV:	-8.1(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3,5-dimethyl-1,3,5-triazinane

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1N(C)C(=C2CC2)C3=CC=C(C=C3)N)C

DOS

IR

Vibrations