Geometry & MOs

Info

ID:	174636
PubChem CID:	75799363
Reduced:	O2N4C15H23 (1)
Stoich.:	A2B4C15D23 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758124
Charge, e:	2

Chem-info

IUPAC name:

3-[[3,5-dioxo-2,4-bis(prop-2-enyl)-1,2,4-triazin-2-ium-6-ylidene]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1CCCCN1C2C(=O)N(C(=O)[N+](=N2)CC=C)CC=C

DOS

IR

Vibrations