Geometry & MOs

Info

ID:	211036
PubChem CID:	80887595
Reduced:	SN7C10H15 (1)
Stoich.:	AB7C10D15 (1)
Weight, g/mol:	307.157915
ΔH_f, kcal/mol:	104.78
Dipole, Da:	6.0
IP(EA), eV:	-9.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)SC2=NN=NN2C)C

DOS

IR

Vibrations