Geometry & MOs

Info

ID:	54143
PubChem CID:	14720391
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	229.136117
ΔH_f, kcal/mol:	-180.39
Dipole, Da:	2.44
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)C(CCC(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations