Geometry & MOs

Info

ID:	34039
PubChem CID:	7889545
Reduced:	NO3H23C27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-48.35
Dipole, Da:	3.0
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations