Geometry & MOs

Info

ID:	211018
PubChem CID:	80883811
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	271.146681
ΔH_f, kcal/mol:	6.36
Dipole, Da:	5.07
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-diethyl-6-(2-methoxyethylsulfanyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)SC2=CC=CC=C2OC)C(C)C

DOS

IR

Vibrations