Geometry & MOs

Info

ID:	63191
PubChem CID:	26746634
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	-209.73
Dipole, Da:	1.94
IP(EA), eV:	-10.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl] 1-O-ethyl (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC(=O)NC1CCCC1

DOS

IR

Vibrations