Geometry & MOs

Info

ID:	309502
PubChem CID:	126546662
Reduced:	CNH2 (6)
Stoich.:	ABC2 (6)
Weight, g/mol:	228.115716
ΔH_f, kcal/mol:	35.69
Dipole, Da:	1.34
IP(EA), eV:	-9.32(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanethiol

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NCCN)N

DOS

IR

Vibrations