Geometry & MOs

Info

ID:	173432
PubChem CID:	75637061
Reduced:	O2N4C17H19 (1)
Stoich.:	A2B4C17D19 (1)
Weight, g/mol:	186.135485
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774537
Charge, e:	1

Chem-info

IUPAC name:

[4-(dimethylamino)-6-oxo-1,3,5-triazinan-2-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1NC(=[N+](C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N1

DOS

IR

Vibrations