Geometry & MOs

Info

ID:	180914
PubChem CID:	76703178
Reduced:	N2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	93.9
Dipole, Da:	4.33
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(2-methoxyphenyl)-6-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,5-triazinan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CN=CN3

DOS

IR

Vibrations