Geometry & MOs

Info

ID:	309825
PubChem CID:	126561035
Reduced:	O6C29H34 (1)
Stoich.:	A6B29C34 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-189.62
Dipole, Da:	1.54
IP(EA), eV:	-9.25(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4,6-bis(1-methylpyrrol-2-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations