Geometry & MOs

Info

ID:	44127
PubChem CID:	10500935
Reduced:	O2H10C13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	2.78
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-(2-methylpropanoylamino)-1,3,5-triazin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC4=C3C=C[C@H]([C@@H]4O)O)C5=C2C6=C(C=C5)[C@@H]([C@H](C=C6)O)O

DOS

IR

Vibrations